3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine

C13H20N2 — CID 79190636

IUPAC3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine
SMILESC=C(C)C(Cc1cccnc1)NCCC
InChIInChI=1S/C13H20N2/c1-4-7-15-13(11(2)3)9-12-6-5-8-14-10-12/h5-6,8,10,13,15H,2,4,7,9H2,1,3H3
InChIKeyVLMAPFNFJVXJNO-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds6

About 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine

3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine (PubChem CID 79190636) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine
PubChem CID79190636
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine
SMILESC=C(C)C(Cc1cccnc1)NCCC
InChIInChI=1S/C13H20N2/c1-4-7-15-13(11(2)3)9-12-6-5-8-14-10-12/h5-6,8,10,13,15H,2,4,7,9H2,1,3H3
InChIKeyVLMAPFNFJVXJNO-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
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

3,5-dimethyl-N-propyl-1-pyridin-3-ylhexan-2-amine
CID 114284861
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[1-(2-methyloxolan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736619
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine?
The IUPAC name of 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine (CID 79190636) is 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine?
The canonical SMILES for 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine is C=C(C)C(Cc1cccnc1)NCCC.
What is the InChIKey of 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine?
The InChIKey is VLMAPFNFJVXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-7-15-13(11(2)3)9-12-6-5-8-14-10-12/h5-6,8,10,13,15H,2,4,7,9H2,1,3H3.
What are the key properties of 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine?
3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine is sourced from PubChem (CID 79190636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).