N-methyl-3,6-dihydro-2H-pyridin-1-amine

C6H12N2 — CID 19376028

IUPACN-methyl-3,6-dihydro-2H-pyridin-1-amine
SMILESCNN1CC=CCC1
InChIInChI=1S/C6H12N2/c1-7-8-5-3-2-4-6-8/h2-3,7H,4-6H2,1H3
InChIKeyFJQULJALKXBNKV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.38
Rot. Bonds1

About N-methyl-3,6-dihydro-2H-pyridin-1-amine

N-methyl-3,6-dihydro-2H-pyridin-1-amine (PubChem CID 19376028) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methyl-3,6-dihydro-2H-pyridin-1-amine.

Molecular Properties

Compound NameN-methyl-3,6-dihydro-2H-pyridin-1-amine
PubChem CID19376028
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methyl-3,6-dihydro-2H-pyridin-1-amine
SMILESCNN1CC=CCC1
InChIInChI=1S/C6H12N2/c1-7-8-5-3-2-4-6-8/h2-3,7H,4-6H2,1H3
InChIKeyFJQULJALKXBNKV-UHFFFAOYSA-N
XLogP0.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,6-dihydro-2H-pyridin-1-amine?
The IUPAC name of N-methyl-3,6-dihydro-2H-pyridin-1-amine (CID 19376028) is N-methyl-3,6-dihydro-2H-pyridin-1-amine.
What is the SMILES notation for N-methyl-3,6-dihydro-2H-pyridin-1-amine?
The canonical SMILES for N-methyl-3,6-dihydro-2H-pyridin-1-amine is CNN1CC=CCC1.
What is the InChIKey of N-methyl-3,6-dihydro-2H-pyridin-1-amine?
The InChIKey is FJQULJALKXBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-7-8-5-3-2-4-6-8/h2-3,7H,4-6H2,1H3.
What are the key properties of N-methyl-3,6-dihydro-2H-pyridin-1-amine?
N-methyl-3,6-dihydro-2H-pyridin-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,6-dihydro-2H-pyridin-1-amine is sourced from PubChem (CID 19376028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).