N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine

C15H31NO — CID 104649319

IUPACN-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
SMILESCOCCCCC1(CNC(C)C)CCCCC1
InChIInChI=1S/C15H31NO/c1-14(2)16-13-15(9-5-4-6-10-15)11-7-8-12-17-3/h14,16H,4-13H2,1-3H3
InChIKeyLRNUZVUNKDXXCG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds8

About N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 104649319) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
PubChem CID104649319
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
SMILESCOCCCCC1(CNC(C)C)CCCCC1
InChIInChI=1S/C15H31NO/c1-14(2)16-13-15(9-5-4-6-10-15)11-7-8-12-17-3/h14,16H,4-13H2,1-3H3
InChIKeyLRNUZVUNKDXXCG-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-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-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
CID 115728783
N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 62260342
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]propan-2-amine
CID 63195697
N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
CID 62106094
N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 103036769
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
CID 115728811

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine (CID 104649319) is N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine is COCCCCC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is LRNUZVUNKDXXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2)16-13-15(9-5-4-6-10-15)11-7-8-12-17-3/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 104649319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).