N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide

C14H23NO — CID 91005878

IUPACN-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide
SMILESC=CC=C(C)C=C(C)CCCC(C)NC=O
InChIInChI=1S/C14H23NO/c1-5-7-12(2)10-13(3)8-6-9-14(4)15-11-16/h5,7,10-11,14H,1,6,8-9H2,2-4H3,(H,15,16)
InChIKeyKCLBWERVILBEFD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds8

About N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide

N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide (PubChem CID 91005878) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide.

Molecular Properties

Compound NameN-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide
PubChem CID91005878
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide
SMILESC=CC=C(C)C=C(C)CCCC(C)NC=O
InChIInChI=1S/C14H23NO/c1-5-7-12(2)10-13(3)8-6-9-14(4)15-11-16/h5,7,10-11,14H,1,6,8-9H2,2-4H3,(H,15,16)
InChIKeyKCLBWERVILBEFD-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide
CID 57109470
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-(6-methylhept-5-en-2-yl)formamide
CID 3614685
N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide
CID 142122835
N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide
CID 143293755
N-[(1R)-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)ethyl]formamide
CID 144195291
N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide
CID 166490284
N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide
CID 19888920
N-[(E)-oct-5-enyl]formamide
CID 21391943
N-[1-(2-ethylcyclopenta-1,3-dien-1-yl)pentyl]acetamide
CID 53958251
N-(2,6-dihydro-1H-inden-1-yl)formamide
CID 57151321
N-oct-1-en-3-ylformamide
CID 87378047

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide?
The IUPAC name of N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide (CID 91005878) is N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide.
What is the SMILES notation for N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide?
The canonical SMILES for N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide is C=CC=C(C)C=C(C)CCCC(C)NC=O.
What is the InChIKey of N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide?
The InChIKey is KCLBWERVILBEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-12(2)10-13(3)8-6-9-14(4)15-11-16/h5,7,10-11,14H,1,6,8-9H2,2-4H3,(H,15,16).
What are the key properties of N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide?
N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide has a molecular weight of 221.34 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dimethylundeca-6,8,10-trien-2-yl)formamide is sourced from PubChem (CID 91005878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).