(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

C7H14N2 — CID 117205554

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCN1CCC=C(CN)C1
InChIInChI=1S/C7H14N2/c1-9-4-2-3-7(5-8)6-9/h3H,2,4-6,8H2,1H3
InChIKeyIIMCXJADVNCNRL-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.21
Rot. Bonds1

About (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (PubChem CID 117205554) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
PubChem CID117205554
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCN1CCC=C(CN)C1
InChIInChI=1S/C7H14N2/c1-9-4-2-3-7(5-8)6-9/h3H,2,4-6,8H2,1H3
InChIKeyIIMCXJADVNCNRL-UHFFFAOYSA-N
XLogP0.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine 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

4-Methyl-1,2,3,6-tetrahydropyridine
CID 5231576
(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 55283731
5-Methyl-1,2,3,6-tetrahydropyridine
CID 5250455
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methanamine dihydrochloride
CID 165590444
(1,2,3,6-Tetrahydropyridin-4-yl)methanamine
CID 20666163
fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 105428659
2,2-Difluoro-3-(5-methyl-1,2,3,6-tetrahydropyridin-1-yl)propan-1-amine
CID 130600975
(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 10351787
(1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10419393
3,5-Dimethyl-1,2,3,6-tetrahydropyridine
CID 14918502
1-methyl-3,6-dihydro-2H-pyridine-5-carbothioamide
CID 14995545

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (CID 117205554) is (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is CN1CCC=C(CN)C1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The InChIKey is IIMCXJADVNCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-4-2-3-7(5-8)6-9/h3H,2,4-6,8H2,1H3.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine has a molecular weight of 126.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is sourced from PubChem (CID 117205554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).