N-benzyl-3-(cyclohexylmethoxy)propan-1-amine

C17H27NO — CID 114782937

IUPACN-benzyl-3-(cyclohexylmethoxy)propan-1-amine
SMILESc1ccc(CNCCCOCC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-8-16(9-4-1)14-18-12-7-13-19-15-17-10-5-2-6-11-17/h1,3-4,8-9,17-18H,2,5-7,10-15H2
InChIKeyBMHDWJQIGVRTKM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds8

About N-benzyl-3-(cyclohexylmethoxy)propan-1-amine

N-benzyl-3-(cyclohexylmethoxy)propan-1-amine (PubChem CID 114782937) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-benzyl-3-(cyclohexylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(cyclohexylmethoxy)propan-1-amine
PubChem CID114782937
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-benzyl-3-(cyclohexylmethoxy)propan-1-amine
SMILESc1ccc(CNCCCOCC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-8-16(9-4-1)14-18-12-7-13-19-15-17-10-5-2-6-11-17/h1,3-4,8-9,17-18H,2,5-7,10-15H2
InChIKeyBMHDWJQIGVRTKM-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-3-(cyclohexylmethoxy)propan-1-amine 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-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343
N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 62582725
3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66407185
N-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368
3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 28719822
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine
CID 43226034

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(cyclohexylmethoxy)propan-1-amine?
The IUPAC name of N-benzyl-3-(cyclohexylmethoxy)propan-1-amine (CID 114782937) is N-benzyl-3-(cyclohexylmethoxy)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(cyclohexylmethoxy)propan-1-amine?
The canonical SMILES for N-benzyl-3-(cyclohexylmethoxy)propan-1-amine is c1ccc(CNCCCOCC2CCCCC2)cc1.
What is the InChIKey of N-benzyl-3-(cyclohexylmethoxy)propan-1-amine?
The InChIKey is BMHDWJQIGVRTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-8-16(9-4-1)14-18-12-7-13-19-15-17-10-5-2-6-11-17/h1,3-4,8-9,17-18H,2,5-7,10-15H2.
What are the key properties of N-benzyl-3-(cyclohexylmethoxy)propan-1-amine?
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(cyclohexylmethoxy)propan-1-amine is sourced from PubChem (CID 114782937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).