2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate

C7H14N2O2 — CID 20754855

IUPAC2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N\C(=O)OCC(C)C
InChIInChI=1S/C7H14N2O2/c1-5(2)4-11-7(10)9-6(3)8/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyAEMQLVAWIHFWRK-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.16
Rot. Bonds2

About 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate

2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate (PubChem CID 20754855) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Name2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate
PubChem CID20754855
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N\C(=O)OCC(C)C
InChIInChI=1S/C7H14N2O2/c1-5(2)4-11-7(10)9-6(3)8/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyAEMQLVAWIHFWRK-UHFFFAOYSA-N
XLogP1.16
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13135117
methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate
CID 13135118
methyl (NE)-N-(1-amino-3-methylbutylidene)carbamate
CID 13135120
ethyl (NE)-N-(1-aminoethylidene)carbamate
CID 13135123
ethyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13420729
methyl (NE)-N-(1-aminopropylidene)carbamate
CID 13512046
butyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754853
propan-2-yl (NE)-N-(1-aminoethylidene)carbamate
CID 20754856
propyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754861
tert-butyl (NZ)-N-(1-aminoethylidene)carbamate
CID 45092360
N-methoxycarbonyl-2-methylpropionamidine
CID 53797302
N-methoxycarbonylisovaleramidine
CID 53944559

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate?
The IUPAC name of 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate (CID 20754855) is 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate is C/C(N)=N\C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate?
The InChIKey is AEMQLVAWIHFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)4-11-7(10)9-6(3)8/h5H,4H2,1-3H3,(H2,8,9,10).
What are the key properties of 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate?
2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate has a molecular weight of 158.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 20754855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).