(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

C7H14N2 — CID 55283731

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCN1CC=C(CN)CC1
InChIInChI=1S/C7H14N2/c1-9-4-2-7(6-8)3-5-9/h2H,3-6,8H2,1H3
InChIKeyXUELPHBYTUIHJB-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.21
Rot. Bonds1

About (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (PubChem CID 55283731) 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-4-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
PubChem CID55283731
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCN1CC=C(CN)CC1
InChIInChI=1S/C7H14N2/c1-9-4-2-7(6-8)3-5-9/h2H,3-6,8H2,1H3
InChIKeyXUELPHBYTUIHJB-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'}

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Related Compounds

4-Methyl-1,2,3,6-tetrahydropyridine
CID 5231576
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
4-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 13241116
(1,2,3,6-Tetrahydropyridin-4-yl)methanamine dihydrochloride
CID 89303161
5-Methyl-1,2,3,6-tetrahydropyridine
CID 5250455
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methanamine dihydrochloride
CID 165590444
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
(1,2,3,6-Tetrahydropyridin-4-yl)methanamine
CID 20666163

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (CID 55283731) is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is CN1CC=C(CN)CC1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The InChIKey is XUELPHBYTUIHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-4-2-7(6-8)3-5-9/h2H,3-6,8H2,1H3.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
(1-methyl-3,6-dihydro-2H-pyridin-4-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-4-yl)methanamine is sourced from PubChem (CID 55283731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).