1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine

C9H18ClN3O — CID 140617900

IUPAC1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine
SMILES[C-]#[N+]CCON(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C9H18ClN3O/c1-8(2)12(9(3)4)13(10)14-7-6-11-5/h8-9H,6-7H2,1-4H3
InChIKeyOHJMOEGWJHXPQS-UHFFFAOYSA-N
MW219.72 g/mol
LogP2.33
Rot. Bonds6

About 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine

1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine (PubChem CID 140617900) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine.

Molecular Properties

Compound Name1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine
PubChem CID140617900
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC Name1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine
SMILES[C-]#[N+]CCON(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C9H18ClN3O/c1-8(2)12(9(3)4)13(10)14-7-6-11-5/h8-9H,6-7H2,1-4H3
InChIKeyOHJMOEGWJHXPQS-UHFFFAOYSA-N
XLogP2.33
TPSA20.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 140710208
2-[1-(2-isocyanoethoxy)ethoxy]acetonitrile
CID 123783020
methyl 2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyacetate
CID 59593926
1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 58831476
chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane
CID 163663485
CID 59628392
CID 59628392
2-[2-(isocyanomethylsulfonyl)ethoxy]propane
CID 88599172
N-[[(2R,3S,5S)-2-(deuteriomethyl)-5-tritiooxolan-3-yl]oxy-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 140773073
CID 59628390
CID 59628390
1-isocyano-3-methylpentane
CID 71472959
2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine
CID 159488608
2-isocyanoethyl(methyl)azanide
CID 54694414

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine?
The IUPAC name of 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine (CID 140617900) is 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine.
What is the SMILES notation for 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine?
The canonical SMILES for 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine is [C-]#[N+]CCON(Cl)N(C(C)C)C(C)C.
What is the InChIKey of 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine?
The InChIKey is OHJMOEGWJHXPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN3O/c1-8(2)12(9(3)4)13(10)14-7-6-11-5/h8-9H,6-7H2,1-4H3.
What are the key properties of 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine?
1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine has a molecular weight of 219.72 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-isocyanoethoxy)-2,2-di(propan-2-yl)hydrazine is sourced from PubChem (CID 140617900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).