1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine

C17H34N2 — CID 81314437

IUPAC1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCC(C)(C)CC2C)CC1
InChIInChI=1S/C17H34N2/c1-13-12-17(2,3)11-10-16(13)19(5)15-8-6-14(18-4)7-9-15/h13-16,18H,6-12H2,1-5H3
InChIKeyYEGOWHDODWFHOB-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.66
Rot. Bonds3

About 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine (PubChem CID 81314437) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine
PubChem CID81314437
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCC(C)(C)CC2C)CC1
InChIInChI=1S/C17H34N2/c1-13-12-17(2,3)11-10-16(13)19(5)15-8-6-14(18-4)7-9-15/h13-16,18H,6-12H2,1-5H3
InChIKeyYEGOWHDODWFHOB-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
1-dodecyl-N-ethyladamantan-2-amine
CID 44457362
1-decyl-N-ethyladamantan-2-amine
CID 44457364
4,4'-Methylenebis[2-methyl-N-(1-methylpropyl)cyclohexanamine]
CID 21885475
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
N-ethyl-1-hexyladamantan-2-amine
CID 44457374
Di(3,3,5-trimethylcyclohexyl)amine
CID 237388
Cambridge id 5466078
CID 784637
4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine
CID 14381169
N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
CID 64762914
2,4,4-trimethyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 81320865
2,4,4-trimethyl-N-[2-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 81320947

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine (CID 81314437) is 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine is CNC1CCC(N(C)C2CCC(C)(C)CC2C)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine?
The InChIKey is YEGOWHDODWFHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-12-17(2,3)11-10-16(13)19(5)15-8-6-14(18-4)7-9-15/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 81314437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).