3-(3-methyl-2-pyridinyl)prop-2-en-1-amine

C9H12N2 — CID 169463131

IUPAC3-(3-methyl-2-pyridinyl)prop-2-en-1-amine
SMILESCc1cccnc1C=CCN
InChIInChI=1S/C9H12N2/c1-8-4-3-7-11-9(8)5-2-6-10/h2-5,7H,6,10H2,1H3
InChIKeyGUUSMPUDRITMHE-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.36
Rot. Bonds2

About 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine

3-(3-methyl-2-pyridinyl)prop-2-en-1-amine (PubChem CID 169463131) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)prop-2-en-1-amine
PubChem CID169463131
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-(3-methyl-2-pyridinyl)prop-2-en-1-amine
SMILESCc1cccnc1C=CCN
InChIInChI=1S/C9H12N2/c1-8-4-3-7-11-9(8)5-2-6-10/h2-5,7H,6,10H2,1H3
InChIKeyGUUSMPUDRITMHE-UHFFFAOYSA-N
XLogP1.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine (CID 169463131) is 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine is Cc1cccnc1C=CCN.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is GUUSMPUDRITMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-4-3-7-11-9(8)5-2-6-10/h2-5,7H,6,10H2,1H3.
What are the key properties of 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine?
3-(3-methyl-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 169463131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).