N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine

C14H22N2 — CID 115720314

IUPACN-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine
SMILESC=CCC(NC(CC)CC)c1ccncc1
InChIInChI=1S/C14H22N2/c1-4-7-14(16-13(5-2)6-3)12-8-10-15-11-9-12/h4,8-11,13-14,16H,1,5-7H2,2-3H3
InChIKeyJAGQZHJBBQFMKK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.48
Rot. Bonds7

About N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine

N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine (PubChem CID 115720314) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine
PubChem CID115720314
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine
SMILESC=CCC(NC(CC)CC)c1ccncc1
InChIInChI=1S/C14H22N2/c1-4-7-14(16-13(5-2)6-3)12-8-10-15-11-9-12/h4,8-11,13-14,16H,1,5-7H2,2-3H3
InChIKeyJAGQZHJBBQFMKK-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.48
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-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723436
N-(1-cyclopropylethyl)-1-pyridin-4-ylbut-3-en-1-amine
CID 115677074
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242
2-methyl-N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723432
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811
(3R)-N-benzhydrylhex-5-en-3-amine
CID 135041353
1-pyridin-4-ylpent-4-enylhydrazine
CID 105196473
1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 106754991
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine
CID 102574540
1-(4-bromophenyl)-N-but-3-en-2-ylbut-3-en-1-amine
CID 101202887
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine?
The IUPAC name of N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine (CID 115720314) is N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine.
What is the SMILES notation for N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine?
The canonical SMILES for N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine is C=CCC(NC(CC)CC)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine?
The InChIKey is JAGQZHJBBQFMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-7-14(16-13(5-2)6-3)12-8-10-15-11-9-12/h4,8-11,13-14,16H,1,5-7H2,2-3H3.
What are the key properties of N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine?
N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine has a molecular weight of 218.34 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine is sourced from PubChem (CID 115720314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).