4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine

C9H16N2O — CID 163511528

IUPAC4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESNC1CNCC=C1C1CCOC1
InChIInChI=1S/C9H16N2O/c10-9-5-11-3-1-8(9)7-2-4-12-6-7/h1,7,9,11H,2-6,10H2
InChIKeyDDCNPJRWHALXHQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.12
Rot. Bonds1

About 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine

4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 163511528) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID163511528
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESNC1CNCC=C1C1CCOC1
InChIInChI=1S/C9H16N2O/c10-9-5-11-3-1-8(9)7-2-4-12-6-7/h1,7,9,11H,2-6,10H2
InChIKeyDDCNPJRWHALXHQ-UHFFFAOYSA-N
XLogP-0.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-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,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane
CID 164926946
(2S)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259175
(2R)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259177
(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259179
(2R)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259181
(1,5-Dimethyl-4-hexen-1-yl)[3-(tetrahydro-3-furanyl)propyl]amine
CID 45930841
N-ethyl-3-methyl-1-(oxan-3-yl)but-2-en-1-amine
CID 79179500
3-methyl-1-(oxan-3-yl)-N-propylbut-2-en-1-amine
CID 79179700
N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine
CID 102672599
N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine
CID 103986917
N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine
CID 103987177
4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine
CID 103987439

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine (CID 163511528) is 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine is NC1CNCC=C1C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is DDCNPJRWHALXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9-5-11-3-1-8(9)7-2-4-12-6-7/h1,7,9,11H,2-6,10H2.
What are the key properties of 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine?
4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 168.24 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 163511528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).