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

C17H28N2 — CID 43614010

IUPACN'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)C1CCCCCC1
InChIInChI=1S/C17H28N2/c1-14-9-7-8-12-16(14)17(18)13-19(2)15-10-5-3-4-6-11-15/h7-9,12,15,17H,3-6,10-11,13,18H2,1-2H3
InChIKeyCCZIPPSPAHTGEA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.65
Rot. Bonds4

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

N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 43614010) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
PubChem CID43614010
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)C1CCCCCC1
InChIInChI=1S/C17H28N2/c1-14-9-7-8-12-16(14)17(18)13-19(2)15-10-5-3-4-6-11-15/h7-9,12,15,17H,3-6,10-11,13,18H2,1-2H3
InChIKeyCCZIPPSPAHTGEA-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308548
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine (CID 43614010) is N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1C(N)CN(C)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is CCZIPPSPAHTGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-9-7-8-12-16(14)17(18)13-19(2)15-10-5-3-4-6-11-15/h7-9,12,15,17H,3-6,10-11,13,18H2,1-2H3.
What are the key properties of N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43614010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).