(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine

C12H18N2 — CID 115890113

IUPAC(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1cccnc1
InChIInChI=1S/C12H18N2/c1-3-4-5-9-14-11(2)12-7-6-8-13-10-12/h3-4,6-8,10-11,14H,5,9H2,1-2H3/b4-3+
InChIKeyQMMBKOKSEUKVGK-ONEGZZNKSA-N
MW190.29 g/mol
LogP2.70
Rot. Bonds5

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

(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine (PubChem CID 115890113) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine
PubChem CID115890113
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1cccnc1
InChIInChI=1S/C12H18N2/c1-3-4-5-9-14-11(2)12-7-6-8-13-10-12/h3-4,6-8,10-11,14H,5,9H2,1-2H3/b4-3+
InChIKeyQMMBKOKSEUKVGK-ONEGZZNKSA-N
XLogP2.70
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 ≤ 52.70
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

N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
(E)-N-[1-(4-chlorophenyl)ethyl]pent-3-en-1-amine
CID 115890056
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
CID 81404326
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine (CID 115890113) is (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine is C/C=C/CCNC(C)c1cccnc1.
What is the InChIKey of (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine?
The InChIKey is QMMBKOKSEUKVGK-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-4-5-9-14-11(2)12-7-6-8-13-10-12/h3-4,6-8,10-11,14H,5,9H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine?
(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine is sourced from PubChem (CID 115890113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).