[(E)-2-methylpentan-3-ylideneamino] carbamate

C7H14N2O2 — CID 172920037

IUPAC[(E)-2-methylpentan-3-ylideneamino] carbamate
SMILESCC/C(=N\OC(N)=O)C(C)C
InChIInChI=1S/C7H14N2O2/c1-4-6(5(2)3)9-11-7(8)10/h5H,4H2,1-3H3,(H2,8,10)/b9-6+
InChIKeyPHYYDLHXYMYMCH-RMKNXTFCSA-N
MW158.20 g/mol
LogP1.50
Rot. Bonds3

About [(E)-2-methylpentan-3-ylideneamino] carbamate

[(E)-2-methylpentan-3-ylideneamino] carbamate (PubChem CID 172920037) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(E)-2-methylpentan-3-ylideneamino] carbamate.

Molecular Properties

Compound Name[(E)-2-methylpentan-3-ylideneamino] carbamate
PubChem CID172920037
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(E)-2-methylpentan-3-ylideneamino] carbamate
SMILESCC/C(=N\OC(N)=O)C(C)C
InChIInChI=1S/C7H14N2O2/c1-4-6(5(2)3)9-11-7(8)10/h5H,4H2,1-3H3,(H2,8,10)/b9-6+
InChIKeyPHYYDLHXYMYMCH-RMKNXTFCSA-N
XLogP1.50
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-2-methylpentan-3-imine
CID 72584290
(butan-2-ylideneamino) carbamate
CID 54343836
[(E)-3-methylbutan-2-ylideneamino] carbamate
CID 143595167
2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
CID 131880639
[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate
CID 54268424
(Z)-1-(2-methylpentan-3-ylideneamino)prop-1-en-2-amine
CID 138719703
2-iodopropyl carbamate
CID 87289235
(1-chloroethylideneamino) carbamate
CID 3077605
N-tert-butyl-2-methylpentan-3-imine
CID 12705448
(1-ethoxypropylideneamino) acetate
CID 157010726
ethyl acetate;2-methylpropanamide
CID 174848751
ethyl carbamate
CID 21202847

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylpentan-3-ylideneamino] carbamate?
The IUPAC name of [(E)-2-methylpentan-3-ylideneamino] carbamate (CID 172920037) is [(E)-2-methylpentan-3-ylideneamino] carbamate.
What is the SMILES notation for [(E)-2-methylpentan-3-ylideneamino] carbamate?
The canonical SMILES for [(E)-2-methylpentan-3-ylideneamino] carbamate is CC/C(=N\OC(N)=O)C(C)C.
What is the InChIKey of [(E)-2-methylpentan-3-ylideneamino] carbamate?
The InChIKey is PHYYDLHXYMYMCH-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-6(5(2)3)9-11-7(8)10/h5H,4H2,1-3H3,(H2,8,10)/b9-6+.
What are the key properties of [(E)-2-methylpentan-3-ylideneamino] carbamate?
[(E)-2-methylpentan-3-ylideneamino] carbamate has a molecular weight of 158.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylpentan-3-ylideneamino] carbamate is sourced from PubChem (CID 172920037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).