N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine

C9H16N2 — CID 114616828

IUPACN-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC=C(C)CNC1=NCCCC1
InChIInChI=1S/C9H16N2/c1-8(2)7-11-9-5-3-4-6-10-9/h1,3-7H2,2H3,(H,10,11)
InChIKeyPVLLQOHLLABHJA-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds2

About N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 114616828) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID114616828
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC=C(C)CNC1=NCCCC1
InChIInChI=1S/C9H16N2/c1-8(2)7-11-9-5-3-4-6-10-9/h1,3-7H2,2H3,(H,10,11)
InChIKeyPVLLQOHLLABHJA-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-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-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 114616828) is N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine is C=C(C)CNC1=NCCCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is PVLLQOHLLABHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)7-11-9-5-3-4-6-10-9/h1,3-7H2,2H3,(H,10,11).
What are the key properties of N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 114616828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).