N-benzyl-5,5-dimethyloxolan-3-amine

C13H19NO — CID 122163726

IUPACN-benzyl-5,5-dimethyloxolan-3-amine
SMILESCC1(C)CC(NCc2ccccc2)CO1
InChIInChI=1S/C13H19NO/c1-13(2)8-12(10-15-13)14-9-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKeyGSXDTXXZNSUHDR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds3

About N-benzyl-5,5-dimethyloxolan-3-amine

N-benzyl-5,5-dimethyloxolan-3-amine (PubChem CID 122163726) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyl-5,5-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-benzyl-5,5-dimethyloxolan-3-amine
PubChem CID122163726
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyl-5,5-dimethyloxolan-3-amine
SMILESCC1(C)CC(NCc2ccccc2)CO1
InChIInChI=1S/C13H19NO/c1-13(2)8-12(10-15-13)14-9-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKeyGSXDTXXZNSUHDR-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-5,5-dimethyloxolan-3-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

2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
D-threo-alpha-Benzyl-N-ethyltetrahydrofurfurylamine
CID 253826
Benzyl(2-methoxyethyl)amine
CID 2396989
(R)-2-(benzylamino)butan-1-ol
CID 927306
[(2E)-3-Phenyl-2-propen-1-yl](tetrahydro-2-furanylmethyl)amine hydrochloride
CID 6458174
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
N-(2-Methoxyethyl)-1-phenylcyclohexanamine
CID 46839344
(2S)-2-(benzylamino)butan-1-ol
CID 927305
3-(Benzylamino)butan-1-ol
CID 10464904
Benzyl-(2,2-dimethyl-tetrahydro-pyran-4-YL)-amine hydrochloride
CID 2871809
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785
(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,5-dimethyloxolan-3-amine?
The IUPAC name of N-benzyl-5,5-dimethyloxolan-3-amine (CID 122163726) is N-benzyl-5,5-dimethyloxolan-3-amine.
What is the SMILES notation for N-benzyl-5,5-dimethyloxolan-3-amine?
The canonical SMILES for N-benzyl-5,5-dimethyloxolan-3-amine is CC1(C)CC(NCc2ccccc2)CO1.
What is the InChIKey of N-benzyl-5,5-dimethyloxolan-3-amine?
The InChIKey is GSXDTXXZNSUHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)8-12(10-15-13)14-9-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3.
What are the key properties of N-benzyl-5,5-dimethyloxolan-3-amine?
N-benzyl-5,5-dimethyloxolan-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,5-dimethyloxolan-3-amine is sourced from PubChem (CID 122163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).