tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate

C12H22N2O2 — CID 3505257

IUPACtert-butyl N-[(4-methylcyclohexylidene)amino]carbamate
SMILESCC1CCC(=NNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9-5-7-10(8-6-9)13-14-11(15)16-12(2,3)4/h9H,5-8H2,1-4H3,(H,14,15)/b13-10-
InChIKeyHMQQEECSFRZKJO-RAXLEYEMSA-N
MW226.32 g/mol
LogP3.08
Rot. Bonds1

About tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate

tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate (PubChem CID 3505257) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methylcyclohexylidene)amino]carbamate
PubChem CID3505257
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[(4-methylcyclohexylidene)amino]carbamate
SMILESCC1CCC(=NNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9-5-7-10(8-6-9)13-14-11(15)16-12(2,3)4/h9H,5-8H2,1-4H3,(H,14,15)/b13-10-
InChIKeyHMQQEECSFRZKJO-RAXLEYEMSA-N
XLogP3.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.08
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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Related Compounds

tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate
CID 67160005
tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate
CID 131984906
methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
CID 4650730
tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate
CID 137358606
N,N'-bis[(4-methylcyclohexylidene)amino]heptanediamide
CID 3519656
benzyl (5E)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]piperidine-1-carboxylate
CID 90119625
[(E)-(3-methylcyclopentylidene)amino]urea
CID 5380591
tert-butyl N-[4-methoxyimino-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 76703073
tert-butyl N-[(1-formyl-4-methylcyclohexyl)methyl]carbamate;sulfur dioxide
CID 161105071
tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate
CID 166507406
ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate
CID 7115126
tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate
CID 10693617

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate?
The IUPAC name of tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate (CID 3505257) is tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate?
The canonical SMILES for tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate is CC1CCC(=NNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate?
The InChIKey is HMQQEECSFRZKJO-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-5-7-10(8-6-9)13-14-11(15)16-12(2,3)4/h9H,5-8H2,1-4H3,(H,14,15)/b13-10-.
What are the key properties of tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate?
tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate has a molecular weight of 226.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate is sourced from PubChem (CID 3505257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).