tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate

C10H18N4O2 — CID 137204261

IUPACtert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate
SMILESC=N/C(=C\C(N)=N\C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)14-8(13-5)6-7(11)12-4/h6H,5H2,1-4H3,(H2,11,12)(H,14,15)/b8-6+
InChIKeyFSGXQHBKAZNLFC-SOFGYWHQSA-N
MW226.28 g/mol
LogP1.04
Rot. Bonds3

About tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate

tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate (PubChem CID 137204261) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate
PubChem CID137204261
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nametert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate
SMILESC=N/C(=C\C(N)=N\C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)14-8(13-5)6-7(11)12-4/h6H,5H2,1-4H3,(H2,11,12)(H,14,15)/b8-6+
InChIKeyFSGXQHBKAZNLFC-SOFGYWHQSA-N
XLogP1.04
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[(E)-4-(methylidenecarbamoyl)hex-4-en-3-yl]carbamate
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tert-butyl 2-[[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]acetate
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tert-butyl N-(2-bromoacetyl)carbamate
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tert-butyl N-[(1E)-1-hydroxybuta-1,3-dienyl]carbamate
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tert-butyl N-[(E)-1-amino-3-oxoprop-1-en-2-yl]carbamate
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3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid
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CID 173488347

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate (CID 137204261) is tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate is C=N/C(=C\C(N)=N\C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate?
The InChIKey is FSGXQHBKAZNLFC-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)14-8(13-5)6-7(11)12-4/h6H,5H2,1-4H3,(H2,11,12)(H,14,15)/b8-6+.
What are the key properties of tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate?
tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-3-amino-1-(methylideneamino)-3-methyliminoprop-1-enyl]carbamate is sourced from PubChem (CID 137204261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).