N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine

C12H18N2 — CID 54508812

IUPACN,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine
SMILESCNCCCC(C)=Cc1cccnc1
InChIInChI=1S/C12H18N2/c1-11(5-3-7-13-2)9-12-6-4-8-14-10-12/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyYHQKIXRDSWTUJK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.48
Rot. Bonds5

About N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine

N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine (PubChem CID 54508812) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine
PubChem CID54508812
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine
SMILESCNCCCC(C)=Cc1cccnc1
InChIInChI=1S/C12H18N2/c1-11(5-3-7-13-2)9-12-6-4-8-14-10-12/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyYHQKIXRDSWTUJK-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine
CID 87467854
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
1-(butylamino)-2-pyridin-3-ylethenol
CID 71416550
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
CID 103093541
2-(pyridin-3-ylmethylidene)hexanal
CID 54164984
2-aminoacetic acid;N-methylbutan-1-amine;(E)-3-pyridin-3-ylprop-2-enal
CID 153395781
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
3-(2-methyl-3-nitrosobut-1-enyl)pyridine
CID 90941422
ethyl (2Z)-5-oxo-2-(pyridin-3-ylmethylidene)hexanoate
CID 177480730
ethyl (2E)-5-oxo-2-(pyridin-3-ylmethylidene)hexanoate
CID 11172665
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine?
The IUPAC name of N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine (CID 54508812) is N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine.
What is the SMILES notation for N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine?
The canonical SMILES for N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine is CNCCCC(C)=Cc1cccnc1.
What is the InChIKey of N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine?
The InChIKey is YHQKIXRDSWTUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11(5-3-7-13-2)9-12-6-4-8-14-10-12/h4,6,8-10,13H,3,5,7H2,1-2H3.
What are the key properties of N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine?
N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine is sourced from PubChem (CID 54508812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).