N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C16H33N3 — CID 63208755

IUPACN'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)CCN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-15-5-7-16(8-6-15)17-9-12-18(2)13-14-19-10-3-4-11-19/h15-17H,3-14H2,1-2H3
InChIKeyXKYBEJDFCZMPAQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds7

About N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63208755) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63208755
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)CCN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-15-5-7-16(8-6-15)17-9-12-18(2)13-14-19-10-3-4-11-19/h15-17H,3-14H2,1-2H3
InChIKeyXKYBEJDFCZMPAQ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208971
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208841
N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 55089565
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63501893
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078580
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561053

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63208755) is N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CC1CCC(NCCN(C)CCN2CCCC2)CC1.
What is the InChIKey of N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is XKYBEJDFCZMPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-15-5-7-16(8-6-15)17-9-12-18(2)13-14-19-10-3-4-11-19/h15-17H,3-14H2,1-2H3.
What are the key properties of N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63208755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).