3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine

C17H27N3 — CID 138615822

IUPAC3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine
SMILES[H]/N=C(C)/C=C(\C)C1=CC=CCN1C(C=CC)C(C)(C)N
InChIInChI=1S/C17H27N3/c1-6-9-16(17(4,5)19)20-11-8-7-10-15(20)13(2)12-14(3)18/h6-10,12,16,18H,11,19H2,1-5H3/b9-6?,13-12+,18-14+
InChIKeyJYZHGTGGALYAOG-ZZGJDDKCSA-N
MW273.42 g/mol
LogP3.41
Rot. Bonds5

About 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine

3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine (PubChem CID 138615822) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine.

Molecular Properties

Compound Name3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine
PubChem CID138615822
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine
SMILES[H]/N=C(C)/C=C(\C)C1=CC=CCN1C(C=CC)C(C)(C)N
InChIInChI=1S/C17H27N3/c1-6-9-16(17(4,5)19)20-11-8-7-10-15(20)13(2)12-14(3)18/h6-10,12,16,18H,11,19H2,1-5H3/b9-6?,13-12+,18-14+
InChIKeyJYZHGTGGALYAOG-ZZGJDDKCSA-N
XLogP3.41
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine?
The IUPAC name of 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine (CID 138615822) is 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine.
What is the SMILES notation for 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine?
The canonical SMILES for 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine is [H]/N=C(C)/C=C(\C)C1=CC=CCN1C(C=CC)C(C)(C)N.
What is the InChIKey of 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine?
The InChIKey is JYZHGTGGALYAOG-ZZGJDDKCSA-N. The full InChI is InChI=1S/C17H27N3/c1-6-9-16(17(4,5)19)20-11-8-7-10-15(20)13(2)12-14(3)18/h6-10,12,16,18H,11,19H2,1-5H3/b9-6?,13-12+,18-14+.
What are the key properties of 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine?
3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(E)-4-iminopent-2-en-2-yl]-2H-pyridin-1-yl]-2-methylhex-4-en-2-amine is sourced from PubChem (CID 138615822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).