N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide

C13H22N2O — CID 129434317

IUPACN-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide
SMILESC[C@H]1CC(=NNC(=O)C2CC2)CC(C)(C)C1
InChIInChI=1S/C13H22N2O/c1-9-6-11(8-13(2,3)7-9)14-15-12(16)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyLADQTYFIHQSXHS-VIFPVBQESA-N
MW222.33 g/mol
LogP2.71
Rot. Bonds2

About N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide

N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide (PubChem CID 129434317) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide
PubChem CID129434317
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide
SMILESC[C@H]1CC(=NNC(=O)C2CC2)CC(C)(C)C1
InChIInChI=1S/C13H22N2O/c1-9-6-11(8-13(2,3)7-9)14-15-12(16)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyLADQTYFIHQSXHS-VIFPVBQESA-N
XLogP2.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide?
The IUPAC name of N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide (CID 129434317) is N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide?
The canonical SMILES for N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide is C[C@H]1CC(=NNC(=O)C2CC2)CC(C)(C)C1.
What is the InChIKey of N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide?
The InChIKey is LADQTYFIHQSXHS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-6-11(8-13(2,3)7-9)14-15-12(16)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide?
N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide is sourced from PubChem (CID 129434317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).