5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine

C13H19N — CID 143636436

IUPAC5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine
SMILESC/C=C\C=C/CCC1=CC=CC(N)C1
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-8-12-9-7-10-13(14)11-12/h2-5,7,9-10,13H,6,8,11,14H2,1H3/b3-2-,5-4-
InChIKeyMHYPFKDFHHWFHX-LDIADDGTSA-N
MW189.30 g/mol
LogP3.11
Rot. Bonds4

About 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine

5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine (PubChem CID 143636436) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine
PubChem CID143636436
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine
SMILESC/C=C\C=C/CCC1=CC=CC(N)C1
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-8-12-9-7-10-13(14)11-12/h2-5,7,9-10,13H,6,8,11,14H2,1H3/b3-2-,5-4-
InChIKeyMHYPFKDFHHWFHX-LDIADDGTSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine with MolForge

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Related Compounds

CID 17753774
CID 17753774
(2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
CID 121373943
(3E,4-diene-2R-amine
CID 10443078
(2s,3e,5z)-2-Amino-3,5,13-tetradecatrien
CID 11117250
(2R)-tetradeca-3,5-dien-2-amine
CID 163188609
2-Cyclohexen-1-amine, 2-methyl-
CID 14291802
1-(Cyclohex-1-en-1-yl)propan-2-amine
CID 231262
(2E,4E,6E)-6-[3-(cyclohexen-1-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
CID 121373967
1-(Cyclohex-1-en-1-yl)propan-2-amine hydrochloride
CID 137943137
[3h]-Phenylethylamine
CID 21074081
1-(Cyclohex-1-en-1-yl)ethan-1-amine
CID 45791128
1-Cyclohexa-1,5-dien-1-ylpropan-2-amine
CID 53774715

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine (CID 143636436) is 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine is C/C=C\C=C/CCC1=CC=CC(N)C1.
What is the InChIKey of 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is MHYPFKDFHHWFHX-LDIADDGTSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-5-6-8-12-9-7-10-13(14)11-12/h2-5,7,9-10,13H,6,8,11,14H2,1H3/b3-2-,5-4-.
What are the key properties of 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine?
5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z,5Z)-hepta-3,5-dienyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143636436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).