3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine

C12H18N2 — CID 114472077

IUPAC3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
SMILESC=C(C)CCNCCc1cccnc1
InChIInChI=1S/C12H18N2/c1-11(2)5-8-13-9-6-12-4-3-7-14-10-12/h3-4,7,10,13H,1,5-6,8-9H2,2H3
InChIKeyPNVKEJJQKWJRHB-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.18
Rot. Bonds6

About 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine

3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine (PubChem CID 114472077) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
PubChem CID114472077
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
SMILESC=C(C)CCNCCc1cccnc1
InChIInChI=1S/C12H18N2/c1-11(2)5-8-13-9-6-12-4-3-7-14-10-12/h3-4,7,10,13H,1,5-6,8-9H2,2H3
InChIKeyPNVKEJJQKWJRHB-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.18
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

2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
CID 106401408
5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524
3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 63190850
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
(E)-4-chloro-N-(2-pyridin-3-ylethyl)but-2-en-1-amine
CID 81429262
2-methyl-5-pyridin-3-ylpent-1-en-3-ol
CID 105110580
N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60912742
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine?
The IUPAC name of 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine (CID 114472077) is 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine is C=C(C)CCNCCc1cccnc1.
What is the InChIKey of 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine?
The InChIKey is PNVKEJJQKWJRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11(2)5-8-13-9-6-12-4-3-7-14-10-12/h3-4,7,10,13H,1,5-6,8-9H2,2H3.
What are the key properties of 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine?
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine is sourced from PubChem (CID 114472077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).