5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine

C11H18N2 — CID 57324733

IUPAC5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine
SMILESCN1C=C(C=CCCCN)C=CC1
InChIInChI=1S/C11H18N2/c1-13-9-5-7-11(10-13)6-3-2-4-8-12/h3,5-7,10H,2,4,8-9,12H2,1H3
InChIKeyFCXLITSXWOQSDC-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.67
Rot. Bonds4

About 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine

5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine (PubChem CID 57324733) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine
PubChem CID57324733
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine
SMILESCN1C=C(C=CCCCN)C=CC1
InChIInChI=1S/C11H18N2/c1-13-9-5-7-11(10-13)6-3-2-4-8-12/h3,5-7,10H,2,4,8-9,12H2,1H3
InChIKeyFCXLITSXWOQSDC-UHFFFAOYSA-N
XLogP1.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.67
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

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4-(1,2-Dihydropyridin-4-yl)-1,2-dihydropyridine
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4-(1-methyl-2H-pyridin-5-yl)but-3-yn-1-amine
CID 19974419
3,5-Diethyl 1,2-dihydropyridine
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5-Ethyl-1,2-dihydropyridine
CID 21405231
1-(1-methyl-2H-pyridin-5-yl)ethanamine
CID 21743714
2-(1-methyl-2H-pyridin-5-yl)ethanamine
CID 21743744
3-(1-methyl-2H-pyridin-3-yl)propan-1-amine
CID 21948972
(1-methyl-2H-pyridin-5-yl)methanamine
CID 54552988
1,5-dimethyl-2H-pyridin-2-amine
CID 56624006

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine?
The IUPAC name of 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine (CID 57324733) is 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine.
What is the SMILES notation for 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine?
The canonical SMILES for 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine is CN1C=C(C=CCCCN)C=CC1.
What is the InChIKey of 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine?
The InChIKey is FCXLITSXWOQSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13-9-5-7-11(10-13)6-3-2-4-8-12/h3,5-7,10H,2,4,8-9,12H2,1H3.
What are the key properties of 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine?
5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine is sourced from PubChem (CID 57324733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).