N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine

C17H28N2O — CID 43137618

IUPACN'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(CN(CCCN)C2CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-20-17-10-5-7-15(13-17)14-19(12-6-11-18)16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14,18H2,1H3
InChIKeyRMNYZCAJOWCCJP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds7

About N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine

N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine (PubChem CID 43137618) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
PubChem CID43137618
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(CN(CCCN)C2CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-20-17-10-5-7-15(13-17)14-19(12-6-11-18)16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14,18H2,1H3
InChIKeyRMNYZCAJOWCCJP-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-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-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
CID 39396373
N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
CID 118760232
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051
3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]propanethioamide
CID 54997340
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 102874850
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine (CID 43137618) is N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine is COc1cccc(CN(CCCN)C2CCCCC2)c1.
What is the InChIKey of N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
The InChIKey is RMNYZCAJOWCCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-20-17-10-5-7-15(13-17)14-19(12-6-11-18)16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14,18H2,1H3.
What are the key properties of N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine?
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 43137618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).