tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate

C14H24N2O3 — CID 126593487

IUPACtert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate
SMILES[H]/N=C/C(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-9-10-4-6-11(7-5-10)12(17)8-15/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,18)/b15-8+
InChIKeyJYRLUOWQTIHQOI-OVCLIPMQSA-N
MW268.36 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate (PubChem CID 126593487) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate
PubChem CID126593487
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate
SMILES[H]/N=C/C(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-9-10-4-6-11(7-5-10)12(17)8-15/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,18)/b15-8+
InChIKeyJYRLUOWQTIHQOI-OVCLIPMQSA-N
XLogP2.54
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-iminoethanimidate
CID 166923677
tert-butyl N-[[4-(hydrazinecarbonyl)cyclohexyl]methyl]carbamate;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 159364298
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
tert-butyl N-[[4-(hydrazinecarbonyl)cyclohexyl]methyl]carbamate;methane;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 162100477
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate (CID 126593487) is tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate is [H]/N=C/C(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate?
The InChIKey is JYRLUOWQTIHQOI-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-9-10-4-6-11(7-5-10)12(17)8-15/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,18)/b15-8+.
What are the key properties of tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 126593487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).