(2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine

C28H51N — CID 130427110

IUPAC(2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine
SMILESC/C=C\C(CCCCCC)=C(/C=C\C)N(C)CCCCCC1CCCCCCC1
InChIInChI=1S/C28H51N/c1-5-8-9-17-24-27(19-6-2)28(20-7-3)29(4)25-18-13-16-23-26-21-14-11-10-12-15-22-26/h6-7,19-20,26H,5,8-18,21-25H2,1-4H3/b19-6-,20-7-,28-27-
InChIKeyGPGXKWPLIJDNRQ-FJAJOSQUSA-N
MW401.72 g/mol
LogP9.22
Rot. Bonds14

About (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine

(2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine (PubChem CID 130427110) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine
PubChem CID130427110
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC Name(2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine
SMILESC/C=C\C(CCCCCC)=C(/C=C\C)N(C)CCCCCC1CCCCCCC1
InChIInChI=1S/C28H51N/c1-5-8-9-17-24-27(19-6-2)28(20-7-3)29(4)25-18-13-16-23-26-21-14-11-10-12-15-22-26/h6-7,19-20,26H,5,8-18,21-25H2,1-4H3/b19-6-,20-7-,28-27-
InChIKeyGPGXKWPLIJDNRQ-FJAJOSQUSA-N
XLogP9.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine (CID 130427110) is (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine is C/C=C\C(CCCCCC)=C(/C=C\C)N(C)CCCCCC1CCCCCCC1.
What is the InChIKey of (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine?
The InChIKey is GPGXKWPLIJDNRQ-FJAJOSQUSA-N. The full InChI is InChI=1S/C28H51N/c1-5-8-9-17-24-27(19-6-2)28(20-7-3)29(4)25-18-13-16-23-26-21-14-11-10-12-15-22-26/h6-7,19-20,26H,5,8-18,21-25H2,1-4H3/b19-6-,20-7-,28-27-.
What are the key properties of (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine?
(2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine has a molecular weight of 401.72 g/mol, XLogP of 9.22, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-(5-cyclooctylpentyl)-N-methyl-5-[(Z)-prop-1-enyl]undeca-2,4-dien-4-amine is sourced from PubChem (CID 130427110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).