1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine

C17H28N2 — CID 79351012

IUPAC1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine
SMILESCC1(C)C(NCCCC(N)c2ccccc2)C1(C)C
InChIInChI=1S/C17H28N2/c1-16(2)15(17(16,3)4)19-12-8-11-14(18)13-9-6-5-7-10-13/h5-7,9-10,14-15,19H,8,11-12,18H2,1-4H3
InChIKeySSVNAUDQZAMOJP-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.49
Rot. Bonds6

About 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine

1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine (PubChem CID 79351012) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine.

Molecular Properties

Compound Name1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine
PubChem CID79351012
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine
SMILESCC1(C)C(NCCCC(N)c2ccccc2)C1(C)C
InChIInChI=1S/C17H28N2/c1-16(2)15(17(16,3)4)19-12-8-11-14(18)13-9-6-5-7-10-13/h5-7,9-10,14-15,19H,8,11-12,18H2,1-4H3
InChIKeySSVNAUDQZAMOJP-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
CID 79351956
N'-cyclopentyl-1-phenylbutane-1,4-diamine
CID 63321714
N'-(2-ethylcyclopropyl)-1-phenylbutane-1,4-diamine
CID 114108419
N'-[(1-methylcyclopentyl)methyl]-1-phenylbutane-1,4-diamine
CID 63831434
N'-benzyl-1-phenylbutane-1,4-diamine
CID 55204537
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-phenyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520442
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine?
The IUPAC name of 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine (CID 79351012) is 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine.
What is the SMILES notation for 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine?
The canonical SMILES for 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine is CC1(C)C(NCCCC(N)c2ccccc2)C1(C)C.
What is the InChIKey of 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine?
The InChIKey is SSVNAUDQZAMOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2)15(17(16,3)4)19-12-8-11-14(18)13-9-6-5-7-10-13/h5-7,9-10,14-15,19H,8,11-12,18H2,1-4H3.
What are the key properties of 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine?
1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine is sourced from PubChem (CID 79351012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).