tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate

C10H18BrN5O2 — CID 173488347

IUPACtert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate
SMILESC=CC(Br)=N/C(NN)=C(\N)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18BrN5O2/c1-5-6(11)14-8(16-13)7(12)15-9(17)18-10(2,3)4/h5,16H,1,12-13H2,2-4H3,(H,15,17)/b8-7-,14-6?
InChIKeyQXIQXVZEFKMUSY-HQNYQRGJSA-N
MW320.19 g/mol
LogP1.04
Rot. Bonds4

About tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate

tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate (PubChem CID 173488347) has the molecular formula C10H18BrN5O2 and a molecular weight of 320.19 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate
PubChem CID173488347
Molecular FormulaC10H18BrN5O2
Molecular Weight320.19 g/mol
Exact Mass319.06
IUPAC Nametert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate
SMILESC=CC(Br)=N/C(NN)=C(\N)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18BrN5O2/c1-5-6(11)14-8(16-13)7(12)15-9(17)18-10(2,3)4/h5,16H,1,12-13H2,2-4H3,(H,15,17)/b8-7-,14-6?
InChIKeyQXIQXVZEFKMUSY-HQNYQRGJSA-N
XLogP1.04
TPSA114.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 15431621
tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate
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CID 101448567
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CID 10633164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate (CID 173488347) is tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate is C=CC(Br)=N/C(NN)=C(\N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate?
The InChIKey is QXIQXVZEFKMUSY-HQNYQRGJSA-N. The full InChI is InChI=1S/C10H18BrN5O2/c1-5-6(11)14-8(16-13)7(12)15-9(17)18-10(2,3)4/h5,16H,1,12-13H2,2-4H3,(H,15,17)/b8-7-,14-6?.
What are the key properties of tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate?
tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate has a molecular weight of 320.19 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-amino-2-(1-bromoprop-2-enylideneamino)-2-hydrazinylethenyl]carbamate is sourced from PubChem (CID 173488347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).