bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane — IUPAC name, SMILES, InChIKey & properties

Name: bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane

bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane (PubChem CID 167624308) has the molecular formula C114H197N7O6 and a molecular weight of 1761.87 g/mol. Its IUPAC name is bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane.

Molecular Properties

Compound Name	bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane
PubChem CID	167624308
Molecular Formula	C114H197N7O6
Molecular Weight	1761.87 g/mol
Exact Mass	1760.53
IUPAC Name	bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane
SMILES	CC.CC.CC.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)Cc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.C[C@@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChI	InChI=1S/C19H32N2O.C19H31NO.2C18H29NO.2C17H29NO.3C2H6/c1-18(2,3)9-7-14-8-10-20-17(11-14)22-16-12-15(13-16)21-19(4,5)6;1-18(2,3)13-14-8-7-9-16(10-14)21-17-11-15(12-17)20-19(4,5)6;21-17(2,3)13-8-7-9-15(10-13)20-16-11-14(12-16)19-18(4,5)6;21-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;31-2/h8,10-11,15-16,21H,7,9,12-13H2,1-6H3;7-10,15,17,20H,11-13H2,1-6H3;27-10,14,16,19H,11-12H2,1-6H3;28-11,13,18H,12H2,1-7H3;31-2H3/t;;;;2*13-;;;/m....10.../s1
InChIKey	MWLVENBCYSMQRU-JWLKGOEVSA-N
XLogP	28.85
TPSA	140.45 Å²
H-Bond Donors	6
H-Bond Acceptors	13
Rotatable Bonds	23
Heavy Atoms	127
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1761.87
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Analyze bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane?

The IUPAC name of bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane (CID 167624308) is bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane.

What is the SMILES notation for bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane?

The canonical SMILES for bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane is CC.CC.CC.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)Cc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.C[C@@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.

What is the InChIKey of bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane?

The InChIKey is MWLVENBCYSMQRU-JWLKGOEVSA-N. The full InChI is InChI=1S/C19H32N2O.C19H31NO.2C18H29NO.2C17H29NO.3C2H6/c1-18(2,3)9-7-14-8-10-20-17(11-14)22-16-12-15(13-16)21-19(4,5)6;1-18(2,3)13-14-8-7-9-16(10-14)21-17-11-15(12-17)20-19(4,5)6;2*1-17(2,3)13-8-7-9-15(10-13)20-16-11-14(12-16)19-18(4,5)6;2*1-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;3*1-2/h8,10-11,15-16,21H,7,9,12-13H2,1-6H3;7-10,15,17,20H,11-13H2,1-6H3;2*7-10,14,16,19H,11-12H2,1-6H3;2*8-11,13,18H,12H2,1-7H3;3*1-2H3/t;;;;2*13-;;;/m....10.../s1.

What are the key properties of bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane?

Where does this data come from?

All data for bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane is sourced from PubChem (CID 167624308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).