5-pyridin-3-ylhex-4-en-1-amine

C11H16N2 — CID 57174688

IUPAC5-pyridin-3-ylhex-4-en-1-amine
SMILESCC(=CCCCN)c1cccnc1
InChIInChI=1S/C11H16N2/c1-10(5-2-3-7-12)11-6-4-8-13-9-11/h4-6,8-9H,2-3,7,12H2,1H3
InChIKeyLMHSRUSHBCRSBU-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.22
Rot. Bonds4

About 5-pyridin-3-ylhex-4-en-1-amine

5-pyridin-3-ylhex-4-en-1-amine (PubChem CID 57174688) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-pyridin-3-ylhex-4-en-1-amine.

Molecular Properties

Compound Name5-pyridin-3-ylhex-4-en-1-amine
PubChem CID57174688
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-pyridin-3-ylhex-4-en-1-amine
SMILESCC(=CCCCN)c1cccnc1
InChIInChI=1S/C11H16N2/c1-10(5-2-3-7-12)11-6-4-8-13-9-11/h4-6,8-9H,2-3,7,12H2,1H3
InChIKeyLMHSRUSHBCRSBU-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.22
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

3-[(E)-5-methylhex-2-en-2-yl]pyridine
CID 18346839
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
(E)-5-(4-phenylphenyl)hex-4-en-1-amine
CID 95462396
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
(NZ)-N-(6-amino-1-pyridin-3-ylhexylidene)hydroxylamine
CID 16740760
1-pyridin-3-ylethanethione
CID 11815891
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine
CID 82288633
formonitrile;1-pyridin-3-ylethanone
CID 174750729
3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine
CID 139780821

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylhex-4-en-1-amine?
The IUPAC name of 5-pyridin-3-ylhex-4-en-1-amine (CID 57174688) is 5-pyridin-3-ylhex-4-en-1-amine.
What is the SMILES notation for 5-pyridin-3-ylhex-4-en-1-amine?
The canonical SMILES for 5-pyridin-3-ylhex-4-en-1-amine is CC(=CCCCN)c1cccnc1.
What is the InChIKey of 5-pyridin-3-ylhex-4-en-1-amine?
The InChIKey is LMHSRUSHBCRSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-10(5-2-3-7-12)11-6-4-8-13-9-11/h4-6,8-9H,2-3,7,12H2,1H3.
What are the key properties of 5-pyridin-3-ylhex-4-en-1-amine?
5-pyridin-3-ylhex-4-en-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylhex-4-en-1-amine is sourced from PubChem (CID 57174688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).