tert-butyl N-(cyclopropylmethylamino)carbamate

C9H18N2O2 — CID 67491579

IUPACtert-butyl N-(cyclopropylmethylamino)carbamate
SMILESCC(C)(C)OC(=O)NNCC1CC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-10-6-7-4-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyQCUPEIQTNPKBPT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.43
Rot. Bonds3

About tert-butyl N-(cyclopropylmethylamino)carbamate

tert-butyl N-(cyclopropylmethylamino)carbamate (PubChem CID 67491579) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl N-(cyclopropylmethylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclopropylmethylamino)carbamate
PubChem CID67491579
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nametert-butyl N-(cyclopropylmethylamino)carbamate
SMILESCC(C)(C)OC(=O)NNCC1CC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-10-6-7-4-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyQCUPEIQTNPKBPT-UHFFFAOYSA-N
XLogP1.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.43
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
CID 58693863
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
CID 107237353
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
CID 156823405
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]carbamate
CID 107237389
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
CID 17369174
tert-butyl N-[4-[(tert-butylsulfinylamino)methyl]cyclohexyl]carbamate
CID 159288412
tert-butyl N-[[1-(cyclopropylmethyl)pyrazol-4-yl]methylamino]carbamate
CID 166560021
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclopropylmethylamino)carbamate?
The IUPAC name of tert-butyl N-(cyclopropylmethylamino)carbamate (CID 67491579) is tert-butyl N-(cyclopropylmethylamino)carbamate.
What is the SMILES notation for tert-butyl N-(cyclopropylmethylamino)carbamate?
The canonical SMILES for tert-butyl N-(cyclopropylmethylamino)carbamate is CC(C)(C)OC(=O)NNCC1CC1.
What is the InChIKey of tert-butyl N-(cyclopropylmethylamino)carbamate?
The InChIKey is QCUPEIQTNPKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-10-6-7-4-5-7/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(cyclopropylmethylamino)carbamate?
tert-butyl N-(cyclopropylmethylamino)carbamate has a molecular weight of 186.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclopropylmethylamino)carbamate is sourced from PubChem (CID 67491579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).