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

C14H25NO — CID 59847877

IUPACN-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)C1CC1
InChIInChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,12+,13+/m0/s1
InChIKeyMQNYSPJVIUCDEG-CYZMBNFOSA-N
MW223.36 g/mol
LogP2.97
Rot. Bonds3

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

N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide (PubChem CID 59847877) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
PubChem CID59847877
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)C1CC1
InChIInChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,12+,13+/m0/s1
InChIKeyMQNYSPJVIUCDEG-CYZMBNFOSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide (CID 59847877) is N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide is CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)C1CC1.
What is the InChIKey of N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The InChIKey is MQNYSPJVIUCDEG-CYZMBNFOSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,12+,13+/m0/s1.
What are the key properties of N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide has a molecular weight of 223.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 59847877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).