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

C17H36N2 — CID 104745574

IUPAC1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)C(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H36N2/c1-7-18-16(15-11-9-8-10-12-15)13-19(6)14(2)17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyWFJNKXXBULOJPK-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds6

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

1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 104745574) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID104745574
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)C(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H36N2/c1-7-18-16(15-11-9-8-10-12-15)13-19(6)14(2)17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyWFJNKXXBULOJPK-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745467
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 113448166
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
1-cyclohexyl-N'-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 104744610
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 105027808
N'-cyclohexyl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63912315
1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 104746704
1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 104746206

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine (CID 104745574) is 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine is CCNC(CN(C)C(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is WFJNKXXBULOJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-18-16(15-11-9-8-10-12-15)13-19(6)14(2)17(3,4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 6 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-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104745574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).