(4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine

C22H35N — CID 126746360

IUPAC(4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine
SMILESC#CC/C=C(\C=C/CCC(/C=C\CC)=C/C)NCCCC(C)C
InChIInChI=1S/C22H35N/c1-6-9-15-21(8-3)16-11-12-18-22(17-10-7-2)23-19-13-14-20(4)5/h2,8-9,12,15,17-18,20,23H,6,10-11,13-14,16,19H2,1,3-5H3/b15-9-,18-12-,21-8+,22-17+
InChIKeyJNXRLHPLUYVNQA-DDUGJLIKSA-N
MW313.53 g/mol
LogP6.17
Rot. Bonds12

About (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine

(4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine (PubChem CID 126746360) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine.

Molecular Properties

Compound Name(4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine
PubChem CID126746360
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name(4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine
SMILESC#CC/C=C(\C=C/CCC(/C=C\CC)=C/C)NCCCC(C)C
InChIInChI=1S/C22H35N/c1-6-9-15-21(8-3)16-11-12-18-22(17-10-7-2)23-19-13-14-20(4)5/h2,8-9,12,15,17-18,20,23H,6,10-11,13-14,16,19H2,1,3-5H3/b15-9-,18-12-,21-8+,22-17+
InChIKeyJNXRLHPLUYVNQA-DDUGJLIKSA-N
XLogP6.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3Z,5E)-6-N-ethyl-6-N-[(2S,3E,7R)-3-ethylidene-7-methylnon-8-yn-2-yl]-7-fluoroocta-3,5,7-triene-1,6-diamine
CID 146204446
(3E,5Z)-N-(7-fluoroheptan-2-yl)-3,7-dimethylnona-1,3,5-trien-8-yn-2-amine
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(2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine
CID 167063172
(7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine
CID 89024928
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CID 117681883
(4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine
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(3E,4E,6E)-3-ethylidene-7-(3-methylcyclopropen-1-yl)-N,4-dipropylnona-1,4,6-trien-2-amine
CID 126658156
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CID 129014958

Frequently Asked Questions

What is the IUPAC name of (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine?
The IUPAC name of (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine (CID 126746360) is (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine.
What is the SMILES notation for (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine?
The canonical SMILES for (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine is C#CC/C=C(\C=C/CCC(/C=C\CC)=C/C)NCCCC(C)C.
What is the InChIKey of (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine?
The InChIKey is JNXRLHPLUYVNQA-DDUGJLIKSA-N. The full InChI is InChI=1S/C22H35N/c1-6-9-15-21(8-3)16-11-12-18-22(17-10-7-2)23-19-13-14-20(4)5/h2,8-9,12,15,17-18,20,23H,6,10-11,13-14,16,19H2,1,3-5H3/b15-9-,18-12-,21-8+,22-17+.
What are the key properties of (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine?
(4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine has a molecular weight of 313.53 g/mol, XLogP of 6.17, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z,10Z,11Z)-10-ethylidene-N-(4-methylpentyl)tetradeca-4,6,11-trien-1-yn-5-amine is sourced from PubChem (CID 126746360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).