(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine

C12H23NO — CID 167310676

IUPAC(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
SMILESCC1CC(CCCN[C@H]2CCOC2)C1
InChIInChI=1S/C12H23NO/c1-10-7-11(8-10)3-2-5-13-12-4-6-14-9-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m0/s1
InChIKeyJXWRYKRBGLUDMB-MCIGGMRASA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine

(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine (PubChem CID 167310676) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
PubChem CID167310676
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
SMILESCC1CC(CCCN[C@H]2CCOC2)C1
InChIInChI=1S/C12H23NO/c1-10-7-11(8-10)3-2-5-13-12-4-6-14-9-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m0/s1
InChIKeyJXWRYKRBGLUDMB-MCIGGMRASA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-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

N-[3-(oxolan-3-yl)propyl]cyclopropanamine
CID 64504217
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
N-(2-cyclopentylethyl)oxolan-3-amine
CID 63335422
N-(4-iodobutyl)oxolan-3-amine
CID 106844615
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
CID 114191125
N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
CID 115689075
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420
N-methyl-3-(3-methylcyclobutyl)propan-1-amine
CID 119055096
N'-hydroxy-4-(oxolan-3-ylamino)butanimidamide
CID 80713618

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine (CID 167310676) is (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine is CC1CC(CCCN[C@H]2CCOC2)C1.
What is the InChIKey of (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine?
The InChIKey is JXWRYKRBGLUDMB-MCIGGMRASA-N. The full InChI is InChI=1S/C12H23NO/c1-10-7-11(8-10)3-2-5-13-12-4-6-14-9-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m0/s1.
What are the key properties of (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine?
(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine is sourced from PubChem (CID 167310676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).