1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine

C20H42N2 — CID 90346860

IUPAC1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
SMILESCC(C)CCC(C)NC1CCC(NC(C)CCC(C)C)CC1
InChIInChI=1S/C20H42N2/c1-15(2)7-9-17(5)21-19-11-13-20(14-12-19)22-18(6)10-8-16(3)4/h15-22H,7-14H2,1-6H3
InChIKeyQJIQFPZHWCOGPO-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.13
Rot. Bonds10

About 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine

1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine (PubChem CID 90346860) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
PubChem CID90346860
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
SMILESCC(C)CCC(C)NC1CCC(NC(C)CCC(C)C)CC1
InChIInChI=1S/C20H42N2/c1-15(2)7-9-17(5)21-19-11-13-20(14-12-19)22-18(6)10-8-16(3)4/h15-22H,7-14H2,1-6H3
InChIKeyQJIQFPZHWCOGPO-UHFFFAOYSA-N
XLogP5.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol
CID 103788564
ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate
CID 54866990
3-methyl-N-(5-methylhexan-2-yl)cyclohexan-1-amine
CID 43079319
3-cyclopropyl-N-(5-methylhexan-2-yl)cyclohexan-1-amine
CID 64593482
3-(5-methylhexan-2-ylamino)cyclohexan-1-ol
CID 43751238
N-hex-5-en-2-ylcyclopropanamine
CID 104581323
2,3-dimethyl-N-(5-methylhexan-2-yl)cyclopentan-1-amine
CID 64907140
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
N-(4-chlorobutan-2-yl)cyclopentanamine
CID 83187738
N-pentan-2-ylcyclooctanamine
CID 43079432
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
N-hex-5-en-2-yl-4-methylcyclohexan-1-amine
CID 104581515

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine (CID 90346860) is 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine is CC(C)CCC(C)NC1CCC(NC(C)CCC(C)C)CC1.
What is the InChIKey of 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine?
The InChIKey is QJIQFPZHWCOGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-15(2)7-9-17(5)21-19-11-13-20(14-12-19)22-18(6)10-8-16(3)4/h15-22H,7-14H2,1-6H3.
What are the key properties of 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine?
1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine has a molecular weight of 310.57 g/mol, XLogP of 5.13, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 90346860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).