ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate

C10H18N2O2 — CID 7115126

IUPACethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate
SMILESCCOC(=O)N/N=C1/CCC[C@@H](C)C1
InChIInChI=1S/C10H18N2O2/c1-3-14-10(13)12-11-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3,(H,12,13)/b11-9-/t8-/m1/s1
InChIKeyBQQHRLCCKZNZMI-IDTVXWRCSA-N
MW198.27 g/mol
LogP2.30
Rot. Bonds2

About ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate

ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate (PubChem CID 7115126) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate
PubChem CID7115126
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate
SMILESCCOC(=O)N/N=C1/CCC[C@@H](C)C1
InChIInChI=1S/C10H18N2O2/c1-3-14-10(13)12-11-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3,(H,12,13)/b11-9-/t8-/m1/s1
InChIKeyBQQHRLCCKZNZMI-IDTVXWRCSA-N
XLogP2.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate?
The IUPAC name of ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate (CID 7115126) is ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate?
The canonical SMILES for ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate is CCOC(=O)N/N=C1/CCC[C@@H](C)C1.
What is the InChIKey of ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate?
The InChIKey is BQQHRLCCKZNZMI-IDTVXWRCSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-14-10(13)12-11-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3,(H,12,13)/b11-9-/t8-/m1/s1.
What are the key properties of ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate?
ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate has a molecular weight of 198.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate is sourced from PubChem (CID 7115126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).