tert-butyl N-(cyclohexylmethylamino)carbamate;ethane

C16H36N2O2 — CID 143072952

IUPACtert-butyl N-(cyclohexylmethylamino)carbamate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)NNCC1CCCCC1
InChIInChI=1S/C12H24N2O2.2C2H6/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10;2*1-2/h10,13H,4-9H2,1-3H3,(H,14,15);2*1-2H3
InChIKeySCSZNMPOBYGPFG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.65
Rot. Bonds3

About tert-butyl N-(cyclohexylmethylamino)carbamate;ethane

tert-butyl N-(cyclohexylmethylamino)carbamate;ethane (PubChem CID 143072952) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is tert-butyl N-(cyclohexylmethylamino)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(cyclohexylmethylamino)carbamate;ethane
PubChem CID143072952
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Nametert-butyl N-(cyclohexylmethylamino)carbamate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)NNCC1CCCCC1
InChIInChI=1S/C12H24N2O2.2C2H6/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10;2*1-2/h10,13H,4-9H2,1-3H3,(H,14,15);2*1-2H3
InChIKeySCSZNMPOBYGPFG-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(cyclobutylmethylamino)carbamate
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tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
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acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
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CID 156823405
tert-butyl N-(cyclododecanecarbonylamino)carbamate
CID 175503254
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl N-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]carbamate
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tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
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tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclohexylmethylamino)carbamate;ethane?
The IUPAC name of tert-butyl N-(cyclohexylmethylamino)carbamate;ethane (CID 143072952) is tert-butyl N-(cyclohexylmethylamino)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(cyclohexylmethylamino)carbamate;ethane?
The canonical SMILES for tert-butyl N-(cyclohexylmethylamino)carbamate;ethane is CC.CC.CC(C)(C)OC(=O)NNCC1CCCCC1.
What is the InChIKey of tert-butyl N-(cyclohexylmethylamino)carbamate;ethane?
The InChIKey is SCSZNMPOBYGPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.2C2H6/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10;2*1-2/h10,13H,4-9H2,1-3H3,(H,14,15);2*1-2H3.
What are the key properties of tert-butyl N-(cyclohexylmethylamino)carbamate;ethane?
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane has a molecular weight of 288.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclohexylmethylamino)carbamate;ethane is sourced from PubChem (CID 143072952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).