(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine

C14H22N2 — CID 115890101

IUPAC(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine
SMILESC/C=C/CCNC(CCC)c1ccccn1
InChIInChI=1S/C14H22N2/c1-3-5-7-11-15-13(9-4-2)14-10-6-8-12-16-14/h3,5-6,8,10,12-13,15H,4,7,9,11H2,1-2H3/b5-3+
InChIKeyAHKJQUSFGUDVPJ-HWKANZROSA-N
MW218.34 g/mol
LogP3.48
Rot. Bonds7

About (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine

(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine (PubChem CID 115890101) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine
PubChem CID115890101
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine
SMILESC/C=C/CCNC(CCC)c1ccccn1
InChIInChI=1S/C14H22N2/c1-3-5-7-11-15-13(9-4-2)14-10-6-8-12-16-14/h3,5-6,8,10,12-13,15H,4,7,9,11H2,1-2H3/b5-3+
InChIKeyAHKJQUSFGUDVPJ-HWKANZROSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(1-pyridin-2-ylbutyl)butan-1-amine
CID 115872088
N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine
CID 91082379
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
CID 103878434
N-ethyl-5-methyl-1-pyridin-2-ylhexan-1-amine
CID 83161018
N-ethyl-4,4-dimethyl-1-pyridin-2-ylpentan-1-amine
CID 62602048
N-[(E)-pent-3-enyl]heptan-4-amine
CID 115677072
2,2-dimethyl-N-propyl-1-pyridin-2-ylpropan-1-amine
CID 62395548

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine (CID 115890101) is (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine is C/C=C/CCNC(CCC)c1ccccn1.
What is the InChIKey of (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine?
The InChIKey is AHKJQUSFGUDVPJ-HWKANZROSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-5-7-11-15-13(9-4-2)14-10-6-8-12-16-14/h3,5-6,8,10,12-13,15H,4,7,9,11H2,1-2H3/b5-3+.
What are the key properties of (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine?
(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-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 (E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine is sourced from PubChem (CID 115890101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).