1,4-dihydropyridin-2-amine

C5H8N2 — CID 19031286

IUPAC1,4-dihydropyridin-2-amine
SMILESNC1=CCC=CN1
InChIInChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h2-4,7H,1,6H2
InChIKeyYSMRAFSHKXBOFO-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.29
Rot. Bonds

About 1,4-dihydropyridin-2-amine

1,4-dihydropyridin-2-amine (PubChem CID 19031286) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name1,4-dihydropyridin-2-amine
PubChem CID19031286
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1,4-dihydropyridin-2-amine
SMILESNC1=CCC=CN1
InChIInChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h2-4,7H,1,6H2
InChIKeyYSMRAFSHKXBOFO-UHFFFAOYSA-N
XLogP0.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dihydropyridine
CID 104822
Dihydropyrrol-2-amine
CID 70339927
3-Amino-1,4-dihydropyridine
CID 129824886
Ammonium 1,4-dihydro-pyridine-2-thiolate
CID 129738605
Ammonium 1,4-dihydro-pyridine-2-selenolate
CID 129765408
d6-2-Aminopyridine
CID 129850527
1-deuterio-4H-pyridine
CID 10057440
2-prop-2-enyl-2,3-dihydro-1H-imidazole
CID 10103134
1,2,3,4-Tetrahydropyridin-2-amine
CID 20228086
1,4-Dihydropyridine;hydrochloride
CID 53303029
(213C)1,4-dihydropyridine
CID 57243157
N-methylbut-1-en-1-amine
CID 57602604

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridin-2-amine?
The IUPAC name of 1,4-dihydropyridin-2-amine (CID 19031286) is 1,4-dihydropyridin-2-amine.
What is the SMILES notation for 1,4-dihydropyridin-2-amine?
The canonical SMILES for 1,4-dihydropyridin-2-amine is NC1=CCC=CN1.
What is the InChIKey of 1,4-dihydropyridin-2-amine?
The InChIKey is YSMRAFSHKXBOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-5-3-1-2-4-7-5/h2-4,7H,1,6H2.
What are the key properties of 1,4-dihydropyridin-2-amine?
1,4-dihydropyridin-2-amine has a molecular weight of 96.13 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridin-2-amine is sourced from PubChem (CID 19031286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).