N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine

C14H29NO2 — CID 62106094

IUPACN-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
SMILESCOCCCOC1(CNC(C)C)CCCCC1
InChIInChI=1S/C14H29NO2/c1-13(2)15-12-14(8-5-4-6-9-14)17-11-7-10-16-3/h13,15H,4-12H2,1-3H3
InChIKeyYAAOQCFQODXPHY-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds8

About N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine

N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 62106094) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID62106094
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
SMILESCOCCCOC1(CNC(C)C)CCCCC1
InChIInChI=1S/C14H29NO2/c1-13(2)15-12-14(8-5-4-6-9-14)17-11-7-10-16-3/h13,15H,4-12H2,1-3H3
InChIKeyYAAOQCFQODXPHY-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(3-methoxypropoxy)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-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
[1-(3-methoxypropoxy)cyclopentyl]methanamine
CID 62106813
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 82006256
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[(1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 62107127
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
1-[1-(2-methoxyethoxy)cyclopentyl]-N-methylmethanamine
CID 62108671
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine (CID 62106094) is N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine is COCCCOC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is YAAOQCFQODXPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2)15-12-14(8-5-4-6-9-14)17-11-7-10-16-3/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine?
N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62106094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).