(2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide

C14H17NO — CID 14015861

IUPAC(2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide
SMILESC/C=C/C#CC#C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C14H17NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,10-11,13H,12H2,1-3H3,(H,15,16)/b5-4+,11-10+
InChIKeyWYWJSGONLKGLJA-PMXBNEBOSA-N
MW215.30 g/mol
LogP1.90
Rot. Bonds3

About (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide

(2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide (PubChem CID 14015861) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide.

Molecular Properties

Compound Name(2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide
PubChem CID14015861
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide
SMILESC/C=C/C#CC#C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C14H17NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,10-11,13H,12H2,1-3H3,(H,15,16)/b5-4+,11-10+
InChIKeyWYWJSGONLKGLJA-PMXBNEBOSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide?
The IUPAC name of (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide (CID 14015861) is (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide.
What is the SMILES notation for (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide?
The canonical SMILES for (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide is C/C=C/C#CC#C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide?
The InChIKey is WYWJSGONLKGLJA-PMXBNEBOSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,10-11,13H,12H2,1-3H3,(H,15,16)/b5-4+,11-10+.
What are the key properties of (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide?
(2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide has a molecular weight of 215.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E)-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide is sourced from PubChem (CID 14015861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).