(2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine

C15H23N — CID 134288156

IUPAC(2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine
SMILESC=C(/C=C\C)/C(C)=C(\CN)C1=CCCCC1
InChIInChI=1S/C15H23N/c1-4-8-12(2)13(3)15(11-16)14-9-6-5-7-10-14/h4,8-9H,2,5-7,10-11,16H2,1,3H3/b8-4-,15-13+
InChIKeyQAYYYFUQZTUTSK-QNJKFRJWSA-N
MW217.36 g/mol
LogP3.89
Rot. Bonds4

About (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine

(2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine (PubChem CID 134288156) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine
PubChem CID134288156
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine
SMILESC=C(/C=C\C)/C(C)=C(\CN)C1=CCCCC1
InChIInChI=1S/C15H23N/c1-4-8-12(2)13(3)15(11-16)14-9-6-5-7-10-14/h4,8-9H,2,5-7,10-11,16H2,1,3H3/b8-4-,15-13+
InChIKeyQAYYYFUQZTUTSK-QNJKFRJWSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine?
The IUPAC name of (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine (CID 134288156) is (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine.
What is the SMILES notation for (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine?
The canonical SMILES for (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine is C=C(/C=C\C)/C(C)=C(\CN)C1=CCCCC1.
What is the InChIKey of (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine?
The InChIKey is QAYYYFUQZTUTSK-QNJKFRJWSA-N. The full InChI is InChI=1S/C15H23N/c1-4-8-12(2)13(3)15(11-16)14-9-6-5-7-10-14/h4,8-9H,2,5-7,10-11,16H2,1,3H3/b8-4-,15-13+.
What are the key properties of (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine?
(2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-(cyclohexen-1-yl)-3-methyl-4-methylidenehepta-2,5-dien-1-amine is sourced from PubChem (CID 134288156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).