(1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine

C19H31N — CID 143569848

IUPAC(1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine
SMILESC=CC(C)C(/C=C\NC)=C/CCCCC1C=CCCC1
InChIInChI=1S/C19H31N/c1-4-17(2)19(15-16-20-3)14-10-6-9-13-18-11-7-5-8-12-18/h4,7,11,14-18,20H,1,5-6,8-10,12-13H2,2-3H3/b16-15-,19-14+
InChIKeyCHRMHOCYUREEKC-QKYCKRCQSA-N
MW273.46 g/mol
LogP5.38
Rot. Bonds9

About (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine

(1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine (PubChem CID 143569848) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine
PubChem CID143569848
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine
SMILESC=CC(C)C(/C=C\NC)=C/CCCCC1C=CCCC1
InChIInChI=1S/C19H31N/c1-4-17(2)19(15-16-20-3)14-10-6-9-13-18-11-7-5-8-12-18/h4,7,11,14-18,20H,1,5-6,8-10,12-13H2,2-3H3/b16-15-,19-14+
InChIKeyCHRMHOCYUREEKC-QKYCKRCQSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine (CID 143569848) is (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine is C=CC(C)C(/C=C\NC)=C/CCCCC1C=CCCC1.
What is the InChIKey of (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine?
The InChIKey is CHRMHOCYUREEKC-QKYCKRCQSA-N. The full InChI is InChI=1S/C19H31N/c1-4-17(2)19(15-16-20-3)14-10-6-9-13-18-11-7-5-8-12-18/h4,7,11,14-18,20H,1,5-6,8-10,12-13H2,2-3H3/b16-15-,19-14+.
What are the key properties of (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine?
(1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine is sourced from PubChem (CID 143569848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).