N-(pyridin-3-ylmethyl)prop-2-en-1-amine

C9H12N2 — CID 4717881

IUPACN-(pyridin-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1cccnc1
InChIInChI=1S/C9H12N2/c1-2-5-10-7-9-4-3-6-11-8-9/h2-4,6,8,10H,1,5,7H2
InChIKeyXDFBNOXCMYOAPC-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.36
Rot. Bonds4

About N-(pyridin-3-ylmethyl)prop-2-en-1-amine

N-(pyridin-3-ylmethyl)prop-2-en-1-amine (PubChem CID 4717881) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)prop-2-en-1-amine
PubChem CID4717881
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-(pyridin-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1cccnc1
InChIInChI=1S/C9H12N2/c1-2-5-10-7-9-4-3-6-11-8-9/h2-4,6,8,10H,1,5,7H2
InChIKeyXDFBNOXCMYOAPC-UHFFFAOYSA-N
XLogP1.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-en-1-amine
CID 6501945
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
5-N-prop-2-enyl-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939516
2-bromo-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 60874327
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
3-N-prop-2-enyl-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939712
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-iodo-1-pyridin-3-ylmethanamine
CID 89297492
6-methyl-4-N-prop-2-enyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112907721
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)prop-2-en-1-amine (CID 4717881) is N-(pyridin-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)prop-2-en-1-amine is C=CCNCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is XDFBNOXCMYOAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-5-10-7-9-4-3-6-11-8-9/h2-4,6,8,10H,1,5,7H2.
What are the key properties of N-(pyridin-3-ylmethyl)prop-2-en-1-amine?
N-(pyridin-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 4717881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).