tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate

C12H22N2O2 — CID 138714983

IUPACtert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
SMILESC=NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-7-5-9(13-4)6-8-10/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyVQJXHACVYXZUDO-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.52
Rot. Bonds2

About tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate

tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate (PubChem CID 138714983) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
PubChem CID138714983
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
SMILESC=NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-7-5-9(13-4)6-8-10/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyVQJXHACVYXZUDO-UHFFFAOYSA-N
XLogP2.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-piperidin-1-ium-4-ylcarbamate
CID 6927761
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
CID 59316038

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate (CID 138714983) is tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate is C=NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate?
The InChIKey is VQJXHACVYXZUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-7-5-9(13-4)6-8-10/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate?
tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate has a molecular weight of 226.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate is sourced from PubChem (CID 138714983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).