N,2,3,4,5,6-hexamethylidenedecanamide

C16H21NO — CID 139561856

IUPACN,2,3,4,5,6-hexamethylidenedecanamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C(=C)C(=C)CCCC
InChIInChI=1S/C16H21NO/c1-8-9-10-11(2)12(3)13(4)14(5)15(6)16(18)17-7/h2-10H2,1H3
InChIKeyPVSDPGYQVNVOFL-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.18
Rot. Bonds8

About N,2,3,4,5,6-hexamethylidenedecanamide

N,2,3,4,5,6-hexamethylidenedecanamide (PubChem CID 139561856) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N,2,3,4,5,6-hexamethylidenedecanamide.

Molecular Properties

Compound NameN,2,3,4,5,6-hexamethylidenedecanamide
PubChem CID139561856
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN,2,3,4,5,6-hexamethylidenedecanamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C(=C)C(=C)CCCC
InChIInChI=1S/C16H21NO/c1-8-9-10-11(2)12(3)13(4)14(5)15(6)16(18)17-7/h2-10H2,1H3
InChIKeyPVSDPGYQVNVOFL-UHFFFAOYSA-N
XLogP4.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 87602276
3,4-dimethylideneoctan-2-one
CID 143941758
2-methylidene-N-sulfonylhexanamide
CID 88843016
(2E)-2-ethylidene-N-methylidenehexanamide
CID 129137077
2-methylidenehexanoic acid;zinc
CID 174824467
2-methylidenehexanoylazanide;terbium
CID 175783049
ethane;2-methylidenehexanoic acid
CID 162072915
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
2,3,4,5,6,7,8,9,10,11-decamethylideneoctadecane-1,1-diol
CID 19752128

Frequently Asked Questions

What is the IUPAC name of N,2,3,4,5,6-hexamethylidenedecanamide?
The IUPAC name of N,2,3,4,5,6-hexamethylidenedecanamide (CID 139561856) is N,2,3,4,5,6-hexamethylidenedecanamide.
What is the SMILES notation for N,2,3,4,5,6-hexamethylidenedecanamide?
The canonical SMILES for N,2,3,4,5,6-hexamethylidenedecanamide is C=NC(=O)C(=C)C(=C)C(=C)C(=C)C(=C)CCCC.
What is the InChIKey of N,2,3,4,5,6-hexamethylidenedecanamide?
The InChIKey is PVSDPGYQVNVOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-8-9-10-11(2)12(3)13(4)14(5)15(6)16(18)17-7/h2-10H2,1H3.
What are the key properties of N,2,3,4,5,6-hexamethylidenedecanamide?
N,2,3,4,5,6-hexamethylidenedecanamide has a molecular weight of 243.35 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4,5,6-hexamethylidenedecanamide is sourced from PubChem (CID 139561856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).