1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine

C17H34N2 — CID 79811831

IUPAC1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine
SMILESCCC(C)(N)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-17(2,18)14-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,3-14,18H2,1-2H3
InChIKeyHRWCZJZGCCVEJK-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.08
Rot. Bonds5

About 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine

1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine (PubChem CID 79811831) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine
PubChem CID79811831
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine
SMILESCCC(C)(N)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-17(2,18)14-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,3-14,18H2,1-2H3
InChIKeyHRWCZJZGCCVEJK-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine
CID 60853322
1-N,1-N-dicyclohexyl-2-cyclopropylpropane-1,2-diamine
CID 60868276
N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine
CID 65000034
1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 79811731
1-cyclohexyl-3-methylpentan-3-amine
CID 67766533
N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554
1-cyclobutyl-3-methylpentan-3-amine
CID 131227584
1-N-(1-cyclopropylethyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79810726
N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
CID 134369025
2-amino-N-cyclohexyl-N-ethyl-2-methylpropanamide
CID 56831871
1-N-cyclopentyl-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65266771
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine (CID 79811831) is 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine is CCC(C)(N)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine?
The InChIKey is HRWCZJZGCCVEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-17(2,18)14-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,3-14,18H2,1-2H3.
What are the key properties of 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine?
1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79811831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).