N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine

C18H30N2O — CID 63741702

IUPACN-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)Cc2ccccc2)CCCOC1
InChIInChI=1S/C18H30N2O/c1-3-11-19-14-18(10-7-12-21-16-18)15-20(2)13-17-8-5-4-6-9-17/h4-6,8-9,19H,3,7,10-16H2,1-2H3
InChIKeyOMKPAXJUVPPDTE-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.91
Rot. Bonds8

About N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine

N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine (PubChem CID 63741702) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
PubChem CID63741702
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)Cc2ccccc2)CCCOC1
InChIInChI=1S/C18H30N2O/c1-3-11-19-14-18(10-7-12-21-16-18)15-20(2)13-17-8-5-4-6-9-17/h4-6,8-9,19H,3,7,10-16H2,1-2H3
InChIKeyOMKPAXJUVPPDTE-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]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-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261568
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[3-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-3-yl]methyl]ethanamine
CID 63739772
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
N-[[3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255991
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63740701

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine (CID 63741702) is N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine is CCCNCC1(CN(C)Cc2ccccc2)CCCOC1.
What is the InChIKey of N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine?
The InChIKey is OMKPAXJUVPPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-19-14-18(10-7-12-21-16-18)15-20(2)13-17-8-5-4-6-9-17/h4-6,8-9,19H,3,7,10-16H2,1-2H3.
What are the key properties of N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine?
N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63741702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).