1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine

C19H40N2 — CID 104746704

IUPAC1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCNC(CN(CC(C)C)C(CC)CC)C1CCCCC1
InChIInChI=1S/C19H40N2/c1-6-18(7-2)21(14-16(4)5)15-19(20-8-3)17-12-10-9-11-13-17/h16-20H,6-15H2,1-5H3
InChIKeyLFTAXPDWXDHOAV-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds10

About 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine

1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 104746704) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID104746704
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCNC(CN(CC(C)C)C(CC)CC)C1CCCCC1
InChIInChI=1S/C19H40N2/c1-6-18(7-2)21(14-16(4)5)15-19(20-8-3)17-12-10-9-11-13-17/h16-20H,6-15H2,1-5H3
InChIKeyLFTAXPDWXDHOAV-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
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-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
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245
N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778
1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63913206
1-cyclopropyl-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63913678

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine (CID 104746704) is 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine is CCNC(CN(CC(C)C)C(CC)CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is LFTAXPDWXDHOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-18(7-2)21(14-16(4)5)15-19(20-8-3)17-12-10-9-11-13-17/h16-20H,6-15H2,1-5H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine?
1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 10 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'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 104746704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).