1-(2,3-dihydropyridin-5-yl)propan-1-amine

C8H14N2 — CID 123588084

IUPAC1-(2,3-dihydropyridin-5-yl)propan-1-amine
SMILESCCC(N)C1=CCCN=C1
InChIInChI=1S/C8H14N2/c1-2-8(9)7-4-3-5-10-6-7/h4,6,8H,2-3,5,9H2,1H3
InChIKeyMZGKENQMZIXVSS-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.12
Rot. Bonds2

About 1-(2,3-dihydropyridin-5-yl)propan-1-amine

1-(2,3-dihydropyridin-5-yl)propan-1-amine (PubChem CID 123588084) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-5-yl)propan-1-amine
PubChem CID123588084
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(2,3-dihydropyridin-5-yl)propan-1-amine
SMILESCCC(N)C1=CCCN=C1
InChIInChI=1S/C8H14N2/c1-2-8(9)7-4-3-5-10-6-7/h4,6,8H,2-3,5,9H2,1H3
InChIKeyMZGKENQMZIXVSS-UHFFFAOYSA-N
XLogP1.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2H-pyrrol-4-yl)methanamine
CID 68322392
2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine
CID 88905588
[(2S)-2-methyl-2H-pyrrol-4-yl]methanamine
CID 89038970
5-Methyl-2,3-dihydropyridin-2-amine
CID 89227049
(3-Methyl-2,3-dihydropyridin-5-yl)methanamine
CID 89272014
5-Methyl-2-prop-2-enyl-2,3-dihydropyridine
CID 89419790
2,4-Dimethyl-2,5-dihydropyridin-5-amine
CID 90780022
2-Methanimidoylcyclohexa-2,5-dien-1-amine
CID 91512249
(2-Methyl-2,3-dihydropyridin-5-yl)methanamine
CID 123156470
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
CID 123743575
(3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine
CID 130298993

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-5-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydropyridin-5-yl)propan-1-amine (CID 123588084) is 1-(2,3-dihydropyridin-5-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydropyridin-5-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydropyridin-5-yl)propan-1-amine is CCC(N)C1=CCCN=C1.
What is the InChIKey of 1-(2,3-dihydropyridin-5-yl)propan-1-amine?
The InChIKey is MZGKENQMZIXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-8(9)7-4-3-5-10-6-7/h4,6,8H,2-3,5,9H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-5-yl)propan-1-amine?
1-(2,3-dihydropyridin-5-yl)propan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-5-yl)propan-1-amine is sourced from PubChem (CID 123588084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).