N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide

C14H23NO — CID 134793055

IUPACN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide
SMILESCC1(C)[C@H]2CC[C@@H](CNC(=O)C3CC3)[C@@H]1C2
InChIInChI=1S/C14H23NO/c1-14(2)11-6-5-10(12(14)7-11)8-15-13(16)9-3-4-9/h9-12H,3-8H2,1-2H3,(H,15,16)/t10-,11-,12-/m0/s1
InChIKeyJDYSKTRRDMZHTM-SRVKXCTJSA-N
MW221.34 g/mol
LogP2.58
Rot. Bonds3

About N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide

N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide (PubChem CID 134793055) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide
PubChem CID134793055
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide
SMILESCC1(C)[C@H]2CC[C@@H](CNC(=O)C3CC3)[C@@H]1C2
InChIInChI=1S/C14H23NO/c1-14(2)11-6-5-10(12(14)7-11)8-15-13(16)9-3-4-9/h9-12H,3-8H2,1-2H3,(H,15,16)/t10-,11-,12-/m0/s1
InChIKeyJDYSKTRRDMZHTM-SRVKXCTJSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide (CID 134793055) is N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide is CC1(C)[C@H]2CC[C@@H](CNC(=O)C3CC3)[C@@H]1C2.
What is the InChIKey of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide?
The InChIKey is JDYSKTRRDMZHTM-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2)11-6-5-10(12(14)7-11)8-15-13(16)9-3-4-9/h9-12H,3-8H2,1-2H3,(H,15,16)/t10-,11-,12-/m0/s1.
What are the key properties of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide?
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 134793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).