4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine

C14H22N2 — CID 166838185

IUPAC4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine
SMILESC=C(C)/C(=C/C(C)CC)C1=C(N)C=NCC1
InChIInChI=1S/C14H22N2/c1-5-11(4)8-13(10(2)3)12-6-7-16-9-14(12)15/h8-9,11H,2,5-7,15H2,1,3-4H3/b13-8-
InChIKeyUNUZUHKTHQGSJF-JYRVWZFOSA-N
MW218.34 g/mol
LogP3.22
Rot. Bonds4

About 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine

4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine (PubChem CID 166838185) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine.

Molecular Properties

Compound Name4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine
PubChem CID166838185
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine
SMILESC=C(C)/C(=C/C(C)CC)C1=C(N)C=NCC1
InChIInChI=1S/C14H22N2/c1-5-11(4)8-13(10(2)3)12-6-7-16-9-14(12)15/h8-9,11H,2,5-7,15H2,1,3-4H3/b13-8-
InChIKeyUNUZUHKTHQGSJF-JYRVWZFOSA-N
XLogP3.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine?
The IUPAC name of 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine (CID 166838185) is 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine.
What is the SMILES notation for 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine?
The canonical SMILES for 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine is C=C(C)/C(=C/C(C)CC)C1=C(N)C=NCC1.
What is the InChIKey of 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine?
The InChIKey is UNUZUHKTHQGSJF-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-11(4)8-13(10(2)3)12-6-7-16-9-14(12)15/h8-9,11H,2,5-7,15H2,1,3-4H3/b13-8-.
What are the key properties of 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine?
4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine has a molecular weight of 218.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine is sourced from PubChem (CID 166838185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).