tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride

C7H18ClN3O2 — CID 146082291

IUPACtert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCNN.Cl
InChIInChI=1S/C7H17N3O2.ClH/c1-7(2,3)12-6(11)9-4-5-10-8;/h10H,4-5,8H2,1-3H3,(H,9,11);1H
InChIKeyVMBRUZWQPOAJGE-UHFFFAOYSA-N
MW211.69 g/mol
LogP0.40
Rot. Bonds3

About tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride

tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride (PubChem CID 146082291) has the molecular formula C7H18ClN3O2 and a molecular weight of 211.69 g/mol. Its IUPAC name is tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
PubChem CID146082291
Molecular FormulaC7H18ClN3O2
Molecular Weight211.69 g/mol
Exact Mass211.11
IUPAC Nametert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCNN.Cl
InChIInChI=1S/C7H17N3O2.ClH/c1-7(2,3)12-6(11)9-4-5-10-8;/h10H,4-5,8H2,1-3H3,(H,9,11);1H
InChIKeyVMBRUZWQPOAJGE-UHFFFAOYSA-N
XLogP0.40
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate
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tert-butyl N-ethylcarbamate;hydroxylamine
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tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
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tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride (CID 146082291) is tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride is CC(C)(C)OC(=O)NCCNN.Cl.
What is the InChIKey of tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride?
The InChIKey is VMBRUZWQPOAJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2.ClH/c1-7(2,3)12-6(11)9-4-5-10-8;/h10H,4-5,8H2,1-3H3,(H,9,11);1H.
What are the key properties of tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride?
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride is sourced from PubChem (CID 146082291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).