N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine

C11H16N2 — CID 102881066

IUPACN-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1cncc(C)c1
InChIInChI=1S/C11H16N2/c1-4-10(3)13-8-11-5-9(2)6-12-7-11/h4-7,10,13H,1,8H2,2-3H3
InChIKeyCAAOOMDFXZZZGS-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.05
Rot. Bonds4

About N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine

N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine (PubChem CID 102881066) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine
PubChem CID102881066
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1cncc(C)c1
InChIInChI=1S/C11H16N2/c1-4-10(3)13-8-11-5-9(2)6-12-7-11/h4-7,10,13H,1,8H2,2-3H3
InChIKeyCAAOOMDFXZZZGS-UHFFFAOYSA-N
XLogP2.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 103905637
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102794730
N-[(5-methyl-3-pyridinyl)methyl]formamide
CID 142430826
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
N-[(5-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 113349294
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
CID 102881049
N-[(4-bromo-3-methylphenyl)methyl]but-3-en-2-amine
CID 115691104
1,1-dimethyl-2-[(5-methyl-3-pyridinyl)methyl]hydrazine
CID 102881007

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine (CID 102881066) is N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine is C=CC(C)NCc1cncc(C)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine?
The InChIKey is CAAOOMDFXZZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-10(3)13-8-11-5-9(2)6-12-7-11/h4-7,10,13H,1,8H2,2-3H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine?
N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine has a molecular weight of 176.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine is sourced from PubChem (CID 102881066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).