2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide

C15H27NO — CID 21064443

IUPAC2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide
SMILESCCCCCNC(=O)C1=C(C)CCCC1(C)C
InChIInChI=1S/C15H27NO/c1-5-6-7-11-16-14(17)13-12(2)9-8-10-15(13,3)4/h5-11H2,1-4H3,(H,16,17)
InChIKeyMYPVZALRKHAYMS-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.82
Rot. Bonds5

About 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide

2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide (PubChem CID 21064443) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide
PubChem CID21064443
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide
SMILESCCCCCNC(=O)C1=C(C)CCCC1(C)C
InChIInChI=1S/C15H27NO/c1-5-6-7-11-16-14(17)13-12(2)9-8-10-15(13,3)4/h5-11H2,1-4H3,(H,16,17)
InChIKeyMYPVZALRKHAYMS-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]hexadecanamide
CID 85426238
N-ethyl-2-fluorocyclohexene-1-carboxamide
CID 67765163
2-fluoro-N-propylcyclohexene-1-carboxamide
CID 129028203
N-[(Z,5R)-5-fluoro-2-methylhept-3-enyl]-4,4-dimethyl-5-(3-methylbutyl)cyclohexene-1-carboxamide
CID 163774221
N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nonanamide
CID 445411
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]tetradecanamide
CID 91376598
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]octadecanamide
CID 91402828
(1E)-N-butyl-2-methylcyclooctene-1-carboxamide
CID 134915053
4,4-dimethyl-N-propylcyclopentene-1-carboxamide
CID 21726910
4-prop-1-en-2-yl-N-propylcyclohexene-1-carboxamide
CID 10443013
N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]hexadecanamide
CID 11179990
3-Butyl-5,6-ditert-butyl-1,2,3,4-tetrahydroazepin-7-one
CID 20872197

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide?
The IUPAC name of 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide (CID 21064443) is 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide.
What is the SMILES notation for 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide?
The canonical SMILES for 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide is CCCCCNC(=O)C1=C(C)CCCC1(C)C.
What is the InChIKey of 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide?
The InChIKey is MYPVZALRKHAYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-6-7-11-16-14(17)13-12(2)9-8-10-15(13,3)4/h5-11H2,1-4H3,(H,16,17).
What are the key properties of 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide?
2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide has a molecular weight of 237.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-N-pentylcyclohexene-1-carboxamide is sourced from PubChem (CID 21064443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).