cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide

C14H25NO — CID 158423097

IUPACcis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide
SMILESC=C[C@H]1CCC[C@](C)(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H25NO/c1-6-11-8-7-9-14(5,10-11)12(16)15-13(2,3)4/h6,11H,1,7-10H2,2-5H3,(H,15,16)/t11-,14-/m0/s1
InChIKeyHASMSISTTRUBKJ-FZMZJTMJSA-N
MW223.36 g/mol
LogP3.28
Rot. Bonds2

About cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide

cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide (PubChem CID 158423097) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide
PubChem CID158423097
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namecis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide
SMILESC=C[C@H]1CCC[C@](C)(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H25NO/c1-6-11-8-7-9-14(5,10-11)12(16)15-13(2,3)4/h6,11H,1,7-10H2,2-5H3,(H,15,16)/t11-,14-/m0/s1
InChIKeyHASMSISTTRUBKJ-FZMZJTMJSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
CID 89155214
N-tert-butyl-3-methylazetidine-3-carboxamide
CID 130880266
(1R,2S,4S)-N-tert-butyl-1,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
CID 67678251
(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride
CID 139529845
[2-[(1S,2R,4R)-2-acetamido-2-(tert-butylcarbamoyl)-4-ethenylcyclohexyl]-3,3-dimethylbutan-2-yl] carbamate
CID 175211060
(2S,3R,5R)-3-acetamido-N-tert-butyl-5-ethenyl-2-methylpiperidine-3-carboxamide;hydrochloride
CID 139529855
(1R,3R,4S)-1-acetamido-N-tert-butyl-3-ethenyl-4-methylcyclopentane-1-carboxamide
CID 157241533
(4S,6aR)-5-acetamido-N-tert-butyl-3-methyl-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
CID 158362690
N-tert-butyl-1-hydroxycyclopropane-1-carboxamide
CID 139520715
(1S,5S)-2-(tert-butylcarbamoyl)-2-methyl-3-prop-2-enylbicyclo[3.1.0]hexane-1-carboxylic acid
CID 159932884
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222
N-tert-butyl-2-[(dibenzylamino)methyl]-5-ethenyl-1-(ethylamino)cyclohexane-1-carboxamide
CID 164804162

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide (CID 158423097) is cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide is C=C[C@H]1CCC[C@](C)(C(=O)NC(C)(C)C)C1.
What is the InChIKey of cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide?
The InChIKey is HASMSISTTRUBKJ-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-11-8-7-9-14(5,10-11)12(16)15-13(2,3)4/h6,11H,1,7-10H2,2-5H3,(H,15,16)/t11-,14-/m0/s1.
What are the key properties of cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide?
cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide has a molecular weight of 223.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 158423097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).