(3-propyl-2,3-dihydropyridin-4-yl)methanamine

C9H16N2 — CID 146670699

IUPAC(3-propyl-2,3-dihydropyridin-4-yl)methanamine
SMILESCCCC1CN=CC=C1CN
InChIInChI=1S/C9H16N2/c1-2-3-9-7-11-5-4-8(9)6-10/h4-5,9H,2-3,6-7,10H2,1H3
InChIKeyGADUYVFNRVAYHV-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.37
Rot. Bonds3

About (3-propyl-2,3-dihydropyridin-4-yl)methanamine

(3-propyl-2,3-dihydropyridin-4-yl)methanamine (PubChem CID 146670699) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3-propyl-2,3-dihydropyridin-4-yl)methanamine.

Molecular Properties

Compound Name(3-propyl-2,3-dihydropyridin-4-yl)methanamine
PubChem CID146670699
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3-propyl-2,3-dihydropyridin-4-yl)methanamine
SMILESCCCC1CN=CC=C1CN
InChIInChI=1S/C9H16N2/c1-2-3-9-7-11-5-4-8(9)6-10/h4-5,9H,2-3,6-7,10H2,1H3
InChIKeyGADUYVFNRVAYHV-UHFFFAOYSA-N
XLogP1.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-propyl-2,3-dihydropyridin-4-yl)methanamine?
The IUPAC name of (3-propyl-2,3-dihydropyridin-4-yl)methanamine (CID 146670699) is (3-propyl-2,3-dihydropyridin-4-yl)methanamine.
What is the SMILES notation for (3-propyl-2,3-dihydropyridin-4-yl)methanamine?
The canonical SMILES for (3-propyl-2,3-dihydropyridin-4-yl)methanamine is CCCC1CN=CC=C1CN.
What is the InChIKey of (3-propyl-2,3-dihydropyridin-4-yl)methanamine?
The InChIKey is GADUYVFNRVAYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-9-7-11-5-4-8(9)6-10/h4-5,9H,2-3,6-7,10H2,1H3.
What are the key properties of (3-propyl-2,3-dihydropyridin-4-yl)methanamine?
(3-propyl-2,3-dihydropyridin-4-yl)methanamine has a molecular weight of 152.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-2,3-dihydropyridin-4-yl)methanamine is sourced from PubChem (CID 146670699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).