1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine

C14H30N2O — CID 106872186

IUPAC1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
SMILESCCCCCN(C)C1(CN)CCCC(OC)C1
InChIInChI=1S/C14H30N2O/c1-4-5-6-10-16(2)14(12-15)9-7-8-13(11-14)17-3/h13H,4-12,15H2,1-3H3
InChIKeyNAMAIYVMOUOZTE-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds7

About 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine (PubChem CID 106872186) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
PubChem CID106872186
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
SMILESCCCCCN(C)C1(CN)CCCC(OC)C1
InChIInChI=1S/C14H30N2O/c1-4-5-6-10-16(2)14(12-15)9-7-8-13(11-14)17-3/h13H,4-12,15H2,1-3H3
InChIKeyNAMAIYVMOUOZTE-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-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

1-(aminomethyl)-3-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872349
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 106872798
1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
CID 64500961
N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline
CID 106872402
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
CID 103562597
N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline
CID 106872410
1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine (CID 106872186) is 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine is CCCCCN(C)C1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine?
The InChIKey is NAMAIYVMOUOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-5-6-10-16(2)14(12-15)9-7-8-13(11-14)17-3/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine is sourced from PubChem (CID 106872186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).