N-propyl-5-pyridin-3-ylpent-1-en-3-amine

C13H20N2 — CID 105161313

IUPACN-propyl-5-pyridin-3-ylpent-1-en-3-amine
SMILESC=CC(CCc1cccnc1)NCCC
InChIInChI=1S/C13H20N2/c1-3-9-15-13(4-2)8-7-12-6-5-10-14-11-12/h4-6,10-11,13,15H,2-3,7-9H2,1H3
InChIKeyYYPJVISEABCCOA-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds7

About N-propyl-5-pyridin-3-ylpent-1-en-3-amine

N-propyl-5-pyridin-3-ylpent-1-en-3-amine (PubChem CID 105161313) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-propyl-5-pyridin-3-ylpent-1-en-3-amine.

Molecular Properties

Compound NameN-propyl-5-pyridin-3-ylpent-1-en-3-amine
PubChem CID105161313
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-propyl-5-pyridin-3-ylpent-1-en-3-amine
SMILESC=CC(CCc1cccnc1)NCCC
InChIInChI=1S/C13H20N2/c1-3-9-15-13(4-2)8-7-12-6-5-10-14-11-12/h4-6,10-11,13,15H,2-3,7-9H2,1H3
InChIKeyYYPJVISEABCCOA-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105141906
N-propyl-1-pyridin-3-ylnon-8-en-2-amine
CID 107009001
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105173119
1-pyridin-3-ylhexan-3-amine
CID 64506028
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine
CID 79190636

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-pyridin-3-ylpent-1-en-3-amine?
The IUPAC name of N-propyl-5-pyridin-3-ylpent-1-en-3-amine (CID 105161313) is N-propyl-5-pyridin-3-ylpent-1-en-3-amine.
What is the SMILES notation for N-propyl-5-pyridin-3-ylpent-1-en-3-amine?
The canonical SMILES for N-propyl-5-pyridin-3-ylpent-1-en-3-amine is C=CC(CCc1cccnc1)NCCC.
What is the InChIKey of N-propyl-5-pyridin-3-ylpent-1-en-3-amine?
The InChIKey is YYPJVISEABCCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-9-15-13(4-2)8-7-12-6-5-10-14-11-12/h4-6,10-11,13,15H,2-3,7-9H2,1H3.
What are the key properties of N-propyl-5-pyridin-3-ylpent-1-en-3-amine?
N-propyl-5-pyridin-3-ylpent-1-en-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-pyridin-3-ylpent-1-en-3-amine is sourced from PubChem (CID 105161313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).