N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine

C9H18N2 — CID 117205877

IUPACN-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine
SMILESCNC(C)CC1=CCCNC1
InChIInChI=1S/C9H18N2/c1-8(10-2)6-9-4-3-5-11-7-9/h4,8,10-11H,3,5-7H2,1-2H3
InChIKeyZINCBLDZDOWBSR-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine

N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine (PubChem CID 117205877) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine
PubChem CID117205877
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine
SMILESCNC(C)CC1=CCCNC1
InChIInChI=1S/C9H18N2/c1-8(10-2)6-9-4-3-5-11-7-9/h4,8,10-11H,3,5-7H2,1-2H3
InChIKeyZINCBLDZDOWBSR-UHFFFAOYSA-N
XLogP0.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine (CID 117205877) is N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine is CNC(C)CC1=CCCNC1.
What is the InChIKey of N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine?
The InChIKey is ZINCBLDZDOWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(10-2)6-9-4-3-5-11-7-9/h4,8,10-11H,3,5-7H2,1-2H3.
What are the key properties of N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine?
N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine has a molecular weight of 154.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-amine is sourced from PubChem (CID 117205877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).