N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine

C14H22N2 — CID 62561610

IUPACN'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCN(C)CC2CC2)c1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-14(10-12)15-8-9-16(2)11-13-6-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3
InChIKeyLKNLHVBTKQYDSF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.75
Rot. Bonds6

About N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62561610) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62561610
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCN(C)CC2CC2)c1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-14(10-12)15-8-9-16(2)11-13-6-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3
InChIKeyLKNLHVBTKQYDSF-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N-(3-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666020
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62560569
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
N'-methyl-N-(3-methylphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560213
3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one
CID 62630543
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 62558100
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline
CID 62889245
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine (CID 62561610) is N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(NCCN(C)CC2CC2)c1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is LKNLHVBTKQYDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-3-5-14(10-12)15-8-9-16(2)11-13-6-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62561610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).