N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine

C16H25NO2 — CID 46855579

IUPACN-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(CC1CCC1)NCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-18-16(19-2)15(11-13-9-6-10-13)17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyJSYYQJLBYXOIOC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.95
Rot. Bonds8

About N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine

N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine (PubChem CID 46855579) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound NameN-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine
PubChem CID46855579
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(CC1CCC1)NCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-18-16(19-2)15(11-13-9-6-10-13)17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyJSYYQJLBYXOIOC-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-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-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
methyl 2-(benzylamino)-2-cyclopropylacetate
CID 61310357
2-(benzylamino)-3-cyclopentylpropanenitrile
CID 130949938
1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
CID 115705957
3-[1-(benzylamino)-2-methylpropyl]cyclohexane-1-carbaldehyde
CID 154977064
(benzylamino)-methoxymethanol
CID 154551883
N-benzyl-1-cyclopropyl-2,2-difluoroethanamine
CID 131114338
methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
3-cyclopentyl-1-ethoxy-N-ethyl-1-phenylpropan-2-amine
CID 116773746
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine?
The IUPAC name of N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine (CID 46855579) is N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine?
The canonical SMILES for N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine is COC(OC)C(CC1CCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine?
The InChIKey is JSYYQJLBYXOIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-18-16(19-2)15(11-13-9-6-10-13)17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3.
What are the key properties of N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine?
N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 46855579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).