tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate

C11H22N2O2 — CID 142556897

IUPACtert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate
SMILESCC=CC(CNC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-6-7-9(8-12-5)13-10(14)15-11(2,3)4/h6-7,9,12H,8H2,1-5H3,(H,13,14)
InChIKeyWWPFNSQSVCPQDY-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.68
Rot. Bonds4

About tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate

tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate (PubChem CID 142556897) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate
PubChem CID142556897
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate
SMILESCC=CC(CNC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-6-7-9(8-12-5)13-10(14)15-11(2,3)4/h6-7,9,12H,8H2,1-5H3,(H,13,14)
InChIKeyWWPFNSQSVCPQDY-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
tert-butyl N-[(E)-1-(hydroxyamino)-1-oxopent-3-en-2-yl]carbamate
CID 163956340
tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate
CID 15936517
tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
CID 87125447
tert-butyl N-(1-oxohex-4-en-2-yl)carbamate
CID 71437064
tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 130003566
methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 123473342
dimethyl (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(E)-prop-1-enyl]pentanedioate
CID 135696834
tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate
CID 174139164
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate (CID 142556897) is tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate is CC=CC(CNC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate?
The InChIKey is WWPFNSQSVCPQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-6-7-9(8-12-5)13-10(14)15-11(2,3)4/h6-7,9,12H,8H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate?
tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate is sourced from PubChem (CID 142556897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).