N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine

C12H18N2 — CID 114878157

IUPACN,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine
SMILESC=C(C)CC(NC)c1cnccc1C
InChIInChI=1S/C12H18N2/c1-9(2)7-12(13-4)11-8-14-6-5-10(11)3/h5-6,8,12-13H,1,7H2,2-4H3
InChIKeyXNFCJNJPTAGBFI-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.62
Rot. Bonds4

About N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine

N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine (PubChem CID 114878157) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine
PubChem CID114878157
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine
SMILESC=C(C)CC(NC)c1cnccc1C
InChIInChI=1S/C12H18N2/c1-9(2)7-12(13-4)11-8-14-6-5-10(11)3/h5-6,8,12-13H,1,7H2,2-4H3
InChIKeyXNFCJNJPTAGBFI-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.62
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

N,4,4-trimethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 114878064
1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-3-en-1-amine
CID 105162978
N-methyl-1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105164185
N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 114878376
N-methyl-1-(4-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 114878134
N,3,4,4-tetramethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105006583
4-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105164243
2-(2,6-dichlorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66270996
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
[5-methyl-1-(4-methyl-3-pyridinyl)hexyl]hydrazine
CID 105279962
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878077

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine (CID 114878157) is N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine is C=C(C)CC(NC)c1cnccc1C.
What is the InChIKey of N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine?
The InChIKey is XNFCJNJPTAGBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)7-12(13-4)11-8-14-6-5-10(11)3/h5-6,8,12-13H,1,7H2,2-4H3.
What are the key properties of N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine?
N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 114878157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).