1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine

C16H34N2 — CID 113448017

IUPAC1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CC(NCC)C1CCCCC1)C(C)C
InChIInChI=1S/C16H34N2/c1-5-12-18(14(3)4)13-16(17-6-2)15-10-8-7-9-11-15/h14-17H,5-13H2,1-4H3
InChIKeyMMSKELMXQXXNCV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine

1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine (PubChem CID 113448017) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
PubChem CID113448017
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CC(NCC)C1CCCCC1)C(C)C
InChIInChI=1S/C16H34N2/c1-5-12-18(14(3)4)13-16(17-6-2)15-10-8-7-9-11-15/h14-17H,5-13H2,1-4H3
InChIKeyMMSKELMXQXXNCV-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-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640
1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 104746704
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63914297
1-cyclohexyl-N'-propan-2-yl-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745637
1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
CID 104754033
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclohexyl-N'-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 104744610
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574
1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745467
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine (CID 113448017) is 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine is CCCN(CC(NCC)C1CCCCC1)C(C)C.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The InChIKey is MMSKELMXQXXNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-12-18(14(3)4)13-16(17-6-2)15-10-8-7-9-11-15/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine?
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-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 1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 113448017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).