1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine

C19H38N2 — CID 67772084

IUPAC1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine
SMILESCC(C)C(C(C)C)(C1CCCCC1)C1(N)CCCCC1N
InChIInChI=1S/C19H38N2/c1-14(2)19(15(3)4,16-10-6-5-7-11-16)18(21)13-9-8-12-17(18)20/h14-17H,5-13,20-21H2,1-4H3
InChIKeyQBASXCVBYCBZML-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.46
Rot. Bonds4

About 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine

1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine (PubChem CID 67772084) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine
PubChem CID67772084
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine
SMILESCC(C)C(C(C)C)(C1CCCCC1)C1(N)CCCCC1N
InChIInChI=1S/C19H38N2/c1-14(2)19(15(3)4,16-10-6-5-7-11-16)18(21)13-9-8-12-17(18)20/h14-17H,5-13,20-21H2,1-4H3
InChIKeyQBASXCVBYCBZML-UHFFFAOYSA-N
XLogP4.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine (CID 67772084) is 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine is CC(C)C(C(C)C)(C1CCCCC1)C1(N)CCCCC1N.
What is the InChIKey of 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine?
The InChIKey is QBASXCVBYCBZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-14(2)19(15(3)4,16-10-6-5-7-11-16)18(21)13-9-8-12-17(18)20/h14-17H,5-13,20-21H2,1-4H3.
What are the key properties of 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine?
1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 67772084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).