N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine

C18H28N2 — CID 79983610

IUPACN-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CN)c1ccccc1C1CC1
InChIInChI=1S/C18H28N2/c1-20(15-7-3-2-4-8-15)18(13-19)17-10-6-5-9-16(17)14-11-12-14/h5-6,9-10,14-15,18H,2-4,7-8,11-13,19H2,1H3
InChIKeyAHQYORGUPJDNGF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.83
Rot. Bonds5

About N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine

N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine (PubChem CID 79983610) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
PubChem CID79983610
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CN)c1ccccc1C1CC1
InChIInChI=1S/C18H28N2/c1-20(15-7-3-2-4-8-15)18(13-19)17-10-6-5-9-16(17)14-11-12-14/h5-6,9-10,14-15,18H,2-4,7-8,11-13,19H2,1H3
InChIKeyAHQYORGUPJDNGF-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine (CID 79983610) is N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine is CN(C1CCCCC1)C(CN)c1ccccc1C1CC1.
What is the InChIKey of N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is AHQYORGUPJDNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(15-7-3-2-4-8-15)18(13-19)17-10-6-5-9-16(17)14-11-12-14/h5-6,9-10,14-15,18H,2-4,7-8,11-13,19H2,1H3.
What are the key properties of N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine?
N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 79983610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).