4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine

C16H34N2 — CID 106799608

IUPAC4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine
SMILESCCNC(CC)CCCN(C)C1CCCCC1C
InChIInChI=1S/C16H34N2/c1-5-15(17-6-2)11-9-13-18(4)16-12-8-7-10-14(16)3/h14-17H,5-13H2,1-4H3
InChIKeyFKAXCSXNYUXQJZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine

4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine (PubChem CID 106799608) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine
PubChem CID106799608
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine
SMILESCCNC(CC)CCCN(C)C1CCCCC1C
InChIInChI=1S/C16H34N2/c1-5-15(17-6-2)11-9-13-18(4)16-12-8-7-10-14(16)3/h14-17H,5-13H2,1-4H3
InChIKeyFKAXCSXNYUXQJZ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799304
1-N,2-N-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 62040568
N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
CID 62461166
1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799150
4-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)butan-1-ol
CID 64827364
4-[methyl-(2-methylcyclohexyl)amino]butanenitrile
CID 60967457
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
N-(1-cyclopropylethyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 55089114
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)pentane-2,4-diamine
CID 64706595
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
N-[2-[2-(ethylamino)cyclopentyl]ethyl]-N,2-dimethylcyclohexan-1-amine
CID 79565613
N'-methyl-N-(2-methylbutan-2-yl)-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62558034

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine (CID 106799608) is 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine is CCNC(CC)CCCN(C)C1CCCCC1C.
What is the InChIKey of 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine?
The InChIKey is FKAXCSXNYUXQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-15(17-6-2)11-9-13-18(4)16-12-8-7-10-14(16)3/h14-17H,5-13H2,1-4H3.
What are the key properties of 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine?
4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine is sourced from PubChem (CID 106799608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).