N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine

C18H28N2 — CID 103910587

IUPACN'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(c1ccc(C)cc1)C1CC1)C1CC1
InChIInChI=1S/C18H28N2/c1-3-20(17-10-11-17)13-12-19-18(16-8-9-16)15-6-4-14(2)5-7-15/h4-7,16-19H,3,8-13H2,1-2H3
InChIKeyOTVJUWZBFBKLSR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.52
Rot. Bonds8

About N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine

N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103910587) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103910587
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(c1ccc(C)cc1)C1CC1)C1CC1
InChIInChI=1S/C18H28N2/c1-3-20(17-10-11-17)13-12-19-18(16-8-9-16)15-6-4-14(2)5-7-15/h4-7,16-19H,3,8-13H2,1-2H3
InChIKeyOTVJUWZBFBKLSR-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926869
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 115898727
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 113261023
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65391838
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine (CID 103910587) is N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCNC(c1ccc(C)cc1)C1CC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is OTVJUWZBFBKLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-20(17-10-11-17)13-12-19-18(16-8-9-16)15-6-4-14(2)5-7-15/h4-7,16-19H,3,8-13H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103910587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).