N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide

C13H25NO — CID 141209786

IUPACN-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide
SMILESCC[C@]1(NC=O)C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C13H25NO/c1-5-13(14-9-15)8-11(4)6-7-12(13)10(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)/t11-,12+,13-/m0/s1
InChIKeyBPQBOMWFVWZBOB-XQQFMLRXSA-N
MW211.35 g/mol
LogP2.97
Rot. Bonds4

About N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide

N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide (PubChem CID 141209786) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide.

Molecular Properties

Compound NameN-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide
PubChem CID141209786
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide
SMILESCC[C@]1(NC=O)C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C13H25NO/c1-5-13(14-9-15)8-11(4)6-7-12(13)10(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)/t11-,12+,13-/m0/s1
InChIKeyBPQBOMWFVWZBOB-XQQFMLRXSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The IUPAC name of N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide (CID 141209786) is N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide.
What is the SMILES notation for N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The canonical SMILES for N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide is CC[C@]1(NC=O)C[C@@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The InChIKey is BPQBOMWFVWZBOB-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-13(14-9-15)8-11(4)6-7-12(13)10(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)/t11-,12+,13-/m0/s1.
What are the key properties of N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide?
N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide has a molecular weight of 211.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide is sourced from PubChem (CID 141209786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).