N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine

C17H28N2O — CID 118760232

IUPACN-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
SMILESCN(Cc1cccc(OCCCN)c1)C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-19(16-8-3-2-4-9-16)14-15-7-5-10-17(13-15)20-12-6-11-18/h5,7,10,13,16H,2-4,6,8-9,11-12,14,18H2,1H3
InChIKeyPWACRCQWDLJYGB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds7

About N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine

N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine (PubChem CID 118760232) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
PubChem CID118760232
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
SMILESCN(Cc1cccc(OCCCN)c1)C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-19(16-8-3-2-4-9-16)14-15-7-5-10-17(13-15)20-12-6-11-18/h5,7,10,13,16H,2-4,6,8-9,11-12,14,18H2,1H3
InChIKeyPWACRCQWDLJYGB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine 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'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
CID 39396373
N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide
CID 126463578
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956
5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen
CID 142389533
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
N-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
CID 14026189

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine (CID 118760232) is N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine is CN(Cc1cccc(OCCCN)c1)C1CCCCC1.
What is the InChIKey of N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine?
The InChIKey is PWACRCQWDLJYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(16-8-3-2-4-9-16)14-15-7-5-10-17(13-15)20-12-6-11-18/h5,7,10,13,16H,2-4,6,8-9,11-12,14,18H2,1H3.
What are the key properties of N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine?
N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine 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-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 118760232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).