1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine

C13H28N2 — CID 79089211

IUPAC1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)C1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-10-14-13(11-15(2)3)12-8-6-5-7-9-12/h12-14H,4-11H2,1-3H3
InChIKeyJJNSMPJLAAIMKL-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine

1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine (PubChem CID 79089211) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
PubChem CID79089211
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)C1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-10-14-13(11-15(2)3)12-8-6-5-7-9-12/h12-14H,4-11H2,1-3H3
InChIKeyJJNSMPJLAAIMKL-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N,N'-dipropylethane-1,2-diamine
CID 104745709
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 104746446
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 104744921
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine
CID 113448271
1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 63912618
1-cyclohexyl-N'-propan-2-yl-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745637
1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine
CID 104744455
2-cyclopentyl-2-hydrazinyl-N,N-dimethylethanamine
CID 105244656

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine (CID 79089211) is 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine is CCCNC(CN(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine?
The InChIKey is JJNSMPJLAAIMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-10-14-13(11-15(2)3)12-8-6-5-7-9-12/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine?
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 79089211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).