tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate

C11H21N3O2 — CID 174139164

IUPACtert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate
SMILESC=CNCC(N=CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-6-12-8-9(13-7-2)14-10(15)16-11(3,4)5/h6-7,9,12H,1,8H2,2-5H3,(H,14,15)
InChIKeyJKJZSMHAVZBNRC-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.66
Rot. Bonds5

About tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate

tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate (PubChem CID 174139164) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate
PubChem CID174139164
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nametert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate
SMILESC=CNCC(N=CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-6-12-8-9(13-7-2)14-10(15)16-11(3,4)5/h6-7,9,12H,1,8H2,2-5H3,(H,14,15)
InChIKeyJKJZSMHAVZBNRC-UHFFFAOYSA-N
XLogP1.66
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.66
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-[1-(methylamino)pent-3-en-2-yl]carbamate
CID 142556897
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
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
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 638722
3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 53397925
tert-butyl N-[1-oxo-1-(N-prop-2-enylanilino)pent-4-en-2-yl]carbamate
CID 77475220
tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
CID 101062005
tert-butyl N-[(E)-4-(methylidenecarbamoyl)hex-4-en-3-yl]carbamate
CID 123137244
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
(2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylbutanedioic acid
CID 18341300
tert-butyl N-(1-hydroxy-2-oxohex-5-en-3-yl)carbamate
CID 54147338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate (CID 174139164) is tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate is C=CNCC(N=CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate?
The InChIKey is JKJZSMHAVZBNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6-12-8-9(13-7-2)14-10(15)16-11(3,4)5/h6-7,9,12H,1,8H2,2-5H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate?
tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate has a molecular weight of 227.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(ethenylamino)-1-(ethylideneamino)ethyl]carbamate is sourced from PubChem (CID 174139164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).