8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine

C16H25N — CID 123325411

IUPAC8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine
SMILES[H]/N=C(\CC)CC=CC=C(C)CC(C)C#CCC
InChIInChI=1S/C16H25N/c1-5-7-10-14(3)13-15(4)11-8-9-12-16(17)6-2/h8-9,11,14,17H,5-6,12-13H2,1-4H3/b9-8?,15-11?,17-16+
InChIKeyKUVUQMVDPFNXKA-OYWRXOSPSA-N
MW231.38 g/mol
LogP4.75
Rot. Bonds6

About 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine

8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine (PubChem CID 123325411) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine.

Molecular Properties

Compound Name8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine
PubChem CID123325411
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine
SMILES[H]/N=C(\CC)CC=CC=C(C)CC(C)C#CCC
InChIInChI=1S/C16H25N/c1-5-7-10-14(3)13-15(4)11-8-9-12-16(17)6-2/h8-9,11,14,17H,5-6,12-13H2,1-4H3/b9-8?,15-11?,17-16+
InChIKeyKUVUQMVDPFNXKA-OYWRXOSPSA-N
XLogP4.75
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine?
The IUPAC name of 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine (CID 123325411) is 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine.
What is the SMILES notation for 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine?
The canonical SMILES for 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine is [H]/N=C(\CC)CC=CC=C(C)CC(C)C#CCC.
What is the InChIKey of 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine?
The InChIKey is KUVUQMVDPFNXKA-OYWRXOSPSA-N. The full InChI is InChI=1S/C16H25N/c1-5-7-10-14(3)13-15(4)11-8-9-12-16(17)6-2/h8-9,11,14,17H,5-6,12-13H2,1-4H3/b9-8?,15-11?,17-16+.
What are the key properties of 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine?
8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine has a molecular weight of 231.38 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine is sourced from PubChem (CID 123325411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).