N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine

C17H37N3 — CID 102994473

IUPACN'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1(N)CCCC(C)C1
InChIInChI=1S/C17H37N3/c1-5-19(6-2)12-9-13-20(7-3)15-17(18)11-8-10-16(4)14-17/h16H,5-15,18H2,1-4H3
InChIKeyNZAJNLSXRDKSFK-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.95
Rot. Bonds9

About N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102994473) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102994473
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1(N)CCCC(C)C1
InChIInChI=1S/C17H37N3/c1-5-19(6-2)12-9-13-20(7-3)15-17(18)11-8-10-16(4)14-17/h16H,5-15,18H2,1-4H3
InChIKeyNZAJNLSXRDKSFK-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-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'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994452
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine
CID 64555313
1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852457
N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline
CID 64555317
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
1-(3-ethoxypropyl)-3-methylcyclohexan-1-amine
CID 65419842
3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990
1-[(dibutylamino)methyl]cyclobutan-1-amine
CID 81168233
2-(1-amino-3-methylcyclohexyl)acetamide
CID 165483573
1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine
CID 65283024

Frequently Asked Questions

What is the IUPAC name of N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102994473) is N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CC1(N)CCCC(C)C1.
What is the InChIKey of N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is NZAJNLSXRDKSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-19(6-2)12-9-13-20(7-3)15-17(18)11-8-10-16(4)14-17/h16H,5-15,18H2,1-4H3.
What are the key properties of N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102994473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).