1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine

C19H36N2 — CID 104746446

IUPAC1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC1CC1)CC1CC1)C1CCCCC1
InChIInChI=1S/C19H36N2/c1-2-12-20-19(18-6-4-3-5-7-18)15-21(13-16-8-9-16)14-17-10-11-17/h16-20H,2-15H2,1H3
InChIKeyQPNJOPHEPYMWSP-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.06
Rot. Bonds10

About 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine

1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine (PubChem CID 104746446) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
PubChem CID104746446
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC1CC1)CC1CC1)C1CCCCC1
InChIInChI=1S/C19H36N2/c1-2-12-20-19(18-6-4-3-5-7-18)15-21(13-16-8-9-16)14-17-10-11-17/h16-20H,2-15H2,1H3
InChIKeyQPNJOPHEPYMWSP-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 63913660
1-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N,N'-dipropylethane-1,2-diamine
CID 104745709
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine
CID 113448271
1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 104744921
1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine
CID 63915177
1-cyclohexyl-N'-propan-2-yl-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745637

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine (CID 104746446) is 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine is CCCNC(CN(CC1CC1)CC1CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine?
The InChIKey is QPNJOPHEPYMWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-2-12-20-19(18-6-4-3-5-7-18)15-21(13-16-8-9-16)14-17-10-11-17/h16-20H,2-15H2,1H3.
What are the key properties of 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine?
1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine has a molecular weight of 292.51 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 104746446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).