1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine

C15H32N2 — CID 113448166

IUPAC1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
SMILESCC(N(C)CC(N)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H32N2/c1-12(15(2,3)4)17(5)11-14(16)13-9-7-6-8-10-13/h12-14H,6-11,16H2,1-5H3
InChIKeyRVSSLPNKPANTBH-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.26
Rot. Bonds4

About 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine

1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 113448166) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID113448166
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
SMILESCC(N(C)CC(N)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H32N2/c1-12(15(2,3)4)17(5)11-14(16)13-9-7-6-8-10-13/h12-14H,6-11,16H2,1-5H3
InChIKeyRVSSLPNKPANTBH-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine
CID 104744720
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574
1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745466
(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
CID 103934582
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
CID 114981190
N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62568594
1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869689
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
CID 130039908
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
1-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 104745492
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine (CID 113448166) is 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine is CC(N(C)CC(N)C1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is RVSSLPNKPANTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(15(2,3)4)17(5)11-14(16)13-9-7-6-8-10-13/h12-14H,6-11,16H2,1-5H3.
What are the key properties of 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine?
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113448166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).