1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine

C17H34N2 — CID 62567826

IUPAC1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
SMILESCC1CCC(N(C)C(C)CNC2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-14-9-11-17(12-10-14)19(3)15(2)13-18-16-7-5-4-6-8-16/h14-18H,4-13H2,1-3H3
InChIKeySVCMDOPTJBNIKN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds5

About 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine

1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine (PubChem CID 62567826) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
PubChem CID62567826
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
SMILESCC1CCC(N(C)C(C)CNC2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-14-9-11-17(12-10-14)19(3)15(2)13-18-16-7-5-4-6-8-16/h14-18H,4-13H2,1-3H3
InChIKeySVCMDOPTJBNIKN-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine
CID 104859774
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
CID 114132443
2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile
CID 114133401
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate
CID 104879694
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62546657
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine (CID 62567826) is 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine is CC1CCC(N(C)C(C)CNC2CCCCC2)CC1.
What is the InChIKey of 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine?
The InChIKey is SVCMDOPTJBNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14-9-11-17(12-10-14)19(3)15(2)13-18-16-7-5-4-6-8-16/h14-18H,4-13H2,1-3H3.
What are the key properties of 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine?
1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine is sourced from PubChem (CID 62567826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).