trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

C14H25NO — CID 122582446

IUPACtrans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)[C@H]1CCC(C)(C)C[C@@H]1C(=O)NCC
InChIInChI=1S/C14H25NO/c1-6-15-13(16)12-9-14(4,5)8-7-11(12)10(2)3/h11-12H,2,6-9H2,1,3-5H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyWPIGZHFYVTYTAC-NEPJUHHUSA-N
MW223.36 g/mol
LogP3.14
Rot. Bonds3

About trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide (PubChem CID 122582446) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
PubChem CID122582446
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nametrans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)[C@H]1CCC(C)(C)C[C@@H]1C(=O)NCC
InChIInChI=1S/C14H25NO/c1-6-15-13(16)12-9-14(4,5)8-7-11(12)10(2)3/h11-12H,2,6-9H2,1,3-5H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyWPIGZHFYVTYTAC-NEPJUHHUSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide (CID 122582446) is trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide is C=C(C)[C@H]1CCC(C)(C)C[C@@H]1C(=O)NCC.
What is the InChIKey of trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is WPIGZHFYVTYTAC-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-15-13(16)12-9-14(4,5)8-7-11(12)10(2)3/h11-12H,2,6-9H2,1,3-5H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 223.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-ethyl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 122582446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).