N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine

C18H30N2 — CID 63504270

IUPACN-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1cc(C)cc(N(C)CCNC2CCCCCC2)c1
InChIInChI=1S/C18H30N2/c1-15-12-16(2)14-18(13-15)20(3)11-10-19-17-8-6-4-5-7-9-17/h12-14,17,19H,4-11H2,1-3H3
InChIKeyBZNUPAQBMVQFEH-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.05
Rot. Bonds5

About N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine

N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 63504270) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID63504270
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1cc(C)cc(N(C)CCNC2CCCCCC2)c1
InChIInChI=1S/C18H30N2/c1-15-12-16(2)14-18(13-15)20(3)11-10-19-17-8-6-4-5-7-9-17/h12-14,17,19H,4-11H2,1-3H3
InChIKeyBZNUPAQBMVQFEH-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 55087778
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 63206209
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
N,3,5-trimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494461
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine (CID 63504270) is N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine is Cc1cc(C)cc(N(C)CCNC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is BZNUPAQBMVQFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-12-16(2)14-18(13-15)20(3)11-10-19-17-8-6-4-5-7-9-17/h12-14,17,19H,4-11H2,1-3H3.
What are the key properties of N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63504270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).