1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine

C16H34N2 — CID 113285441

IUPAC1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)C1CCC(C)(C)CC1C
InChIInChI=1S/C16H34N2/c1-12(2)14(17)8-10-18(6)15-7-9-16(4,5)11-13(15)3/h12-15H,7-11,17H2,1-6H3
InChIKeyJUBHMWNCJXMGSW-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.51
Rot. Bonds5

About 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine (PubChem CID 113285441) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine
PubChem CID113285441
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)C1CCC(C)(C)CC1C
InChIInChI=1S/C16H34N2/c1-12(2)14(17)8-10-18(6)15-7-9-16(4,5)11-13(15)3/h12-15H,7-11,17H2,1-6H3
InChIKeyJUBHMWNCJXMGSW-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Diethylamino)methyl]cyclohexan-1-amine
CID 23009041
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
Cambridge id 5418134
CID 782244
4-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62609084
4-Tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 62609436
4-Tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 62610478
4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 62610479
4-Tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 62615226
4-tert-butyl-N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 62615228
4-methyl-N-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 63494769
4-Tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 63494955
4,4-Dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 64399603

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine (CID 113285441) is 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine is CC(C)C(N)CCN(C)C1CCC(C)(C)CC1C.
What is the InChIKey of 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine?
The InChIKey is JUBHMWNCJXMGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)14(17)8-10-18(6)15-7-9-16(4,5)11-13(15)3/h12-15H,7-11,17H2,1-6H3.
What are the key properties of 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine is sourced from PubChem (CID 113285441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).