bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine

C72H149N5O3 — CID 167694902

IUPACbis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)[C@@H]1CCCCN1.CC(C)(C)[C@@H]1CCCCO1.CC(C)(C)[C@@H]1CNCCN1.CC(C)(C)[C@@H]1COCCN1.CC(C)(C)[C@H]1CCCCN1.CC(C)(C)[C@H]1CCCCO1
InChIInChI=1S/2C10H20.2C9H19N.2C9H18O.C8H18N2.C8H17NO/c2*1-10(2,3)9-7-5-4-6-8-9;4*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-6-10-5-4-9-7/h2*9H,4-8H2,1-3H3;2*8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3/t;;4*8-;2*7-/m..101000/s1
InChIKeyXMSARHGUSKBSTO-SDUKCAKSSA-N
MW1133.02 g/mol
LogP18.39
Rot. Bonds

About bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine

bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine (PubChem CID 167694902) has the molecular formula C72H149N5O3 and a molecular weight of 1133.02 g/mol. Its IUPAC name is bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine.

Molecular Properties

Compound Namebis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine
PubChem CID167694902
Molecular FormulaC72H149N5O3
Molecular Weight1133.02 g/mol
Exact Mass1132.17
IUPAC Namebis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)[C@@H]1CCCCN1.CC(C)(C)[C@@H]1CCCCO1.CC(C)(C)[C@@H]1CNCCN1.CC(C)(C)[C@@H]1COCCN1.CC(C)(C)[C@H]1CCCCN1.CC(C)(C)[C@H]1CCCCO1
InChIInChI=1S/2C10H20.2C9H19N.2C9H18O.C8H18N2.C8H17NO/c2*1-10(2,3)9-7-5-4-6-8-9;4*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-6-10-5-4-9-7/h2*9H,4-8H2,1-3H3;2*8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3/t;;4*8-;2*7-/m..101000/s1
InChIKeyXMSARHGUSKBSTO-SDUKCAKSSA-N
XLogP18.39
TPSA87.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.02
LogP ≤ 518.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine?
The IUPAC name of bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine (CID 167694902) is bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine.
What is the SMILES notation for bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine?
The canonical SMILES for bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine is CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)[C@@H]1CCCCN1.CC(C)(C)[C@@H]1CCCCO1.CC(C)(C)[C@@H]1CNCCN1.CC(C)(C)[C@@H]1COCCN1.CC(C)(C)[C@H]1CCCCN1.CC(C)(C)[C@H]1CCCCO1.
What is the InChIKey of bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine?
The InChIKey is XMSARHGUSKBSTO-SDUKCAKSSA-N. The full InChI is InChI=1S/2C10H20.2C9H19N.2C9H18O.C8H18N2.C8H17NO/c2*1-10(2,3)9-7-5-4-6-8-9;4*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-6-10-5-4-9-7/h2*9H,4-8H2,1-3H3;2*8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3/t;;4*8-;2*7-/m..101000/s1.
What are the key properties of bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine?
bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine has a molecular weight of 1133.02 g/mol, XLogP of 18.39, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine is sourced from PubChem (CID 167694902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).