tert-butyl N-[methyl(prop-2-enyl)amino]carbamate

C9H18N2O2 — CID 177168353

IUPACtert-butyl N-[methyl(prop-2-enyl)amino]carbamate
SMILESC=CCN(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6-7-11(5)10-8(12)13-9(2,3)4/h6H,1,7H2,2-5H3,(H,10,12)
InChIKeyWXCSECDBIYXTRN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl N-[methyl(prop-2-enyl)amino]carbamate

tert-butyl N-[methyl(prop-2-enyl)amino]carbamate (PubChem CID 177168353) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl N-[methyl(prop-2-enyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[methyl(prop-2-enyl)amino]carbamate
PubChem CID177168353
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nametert-butyl N-[methyl(prop-2-enyl)amino]carbamate
SMILESC=CCN(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6-7-11(5)10-8(12)13-9(2,3)4/h6H,1,7H2,2-5H3,(H,10,12)
InChIKeyWXCSECDBIYXTRN-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(prop-2-enylamino)carbamate
CID 11240753
tert-butyl N-[carbonochloridoyl(hex-5-enyl)amino]carbamate
CID 59838984
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 638722
tert-butyl N-methyl-N-(1-oxopent-4-en-2-yl)carbamate
CID 72647061
3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 53397925
tert-butyl N-(1-phenylbut-3-enoxy)carbamate
CID 11173083
tert-butyl N-[(E)-N'-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-prop-2-enylcarbamate
CID 135522645
tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
CID 131732612
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[(E)-4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propyl]amino]but-2-enyl]carbamate
CID 19956406
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810
tert-butyl N-(1-hydroxy-2-oxohex-5-en-3-yl)carbamate
CID 54147338
(2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylbutanedioic acid
CID 18341300

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[methyl(prop-2-enyl)amino]carbamate?
The IUPAC name of tert-butyl N-[methyl(prop-2-enyl)amino]carbamate (CID 177168353) is tert-butyl N-[methyl(prop-2-enyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[methyl(prop-2-enyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[methyl(prop-2-enyl)amino]carbamate is C=CCN(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[methyl(prop-2-enyl)amino]carbamate?
The InChIKey is WXCSECDBIYXTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-7-11(5)10-8(12)13-9(2,3)4/h6H,1,7H2,2-5H3,(H,10,12).
What are the key properties of tert-butyl N-[methyl(prop-2-enyl)amino]carbamate?
tert-butyl N-[methyl(prop-2-enyl)amino]carbamate has a molecular weight of 186.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[methyl(prop-2-enyl)amino]carbamate is sourced from PubChem (CID 177168353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).