ethyl N-(2-iminobutyl)carbamate

C7H14N2O2 — CID 174657995

IUPACethyl N-(2-iminobutyl)carbamate
SMILES[H]/N=C(\CC)CNC(=O)OCC
InChIInChI=1S/C7H14N2O2/c1-3-6(8)5-9-7(10)11-4-2/h8H,3-5H2,1-2H3,(H,9,10)/b8-6+
InChIKeyVKHWCUPSZGUORP-SOFGYWHQSA-N
MW158.20 g/mol
LogP1.16
Rot. Bonds4

About ethyl N-(2-iminobutyl)carbamate

ethyl N-(2-iminobutyl)carbamate (PubChem CID 174657995) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl N-(2-iminobutyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-iminobutyl)carbamate
PubChem CID174657995
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl N-(2-iminobutyl)carbamate
SMILES[H]/N=C(\CC)CNC(=O)OCC
InChIInChI=1S/C7H14N2O2/c1-3-6(8)5-9-7(10)11-4-2/h8H,3-5H2,1-2H3,(H,9,10)/b8-6+
InChIKeyVKHWCUPSZGUORP-SOFGYWHQSA-N
XLogP1.16
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxycarbonylamino)acetic acid;propane
CID 145279324
ethyl N-[2-(dimethylamino)-2-oxoethyl]carbamate
CID 60652344
3-iminopentanamide
CID 54560683
azane;ethyl N-ethylcarbamate
CID 88547448
heptane-3,5-diimine
CID 142023911
ethyl N-propylcarbamate
CID 12199
ethyl 3-iminohexanoate
CID 21426807
ethyl N-iodocarbamate
CID 21443578
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
ethyl N-(3-iodoprop-2-ynyl)carbamate
CID 19426393
methyl 4-iminohexanoate
CID 23565330

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-iminobutyl)carbamate?
The IUPAC name of ethyl N-(2-iminobutyl)carbamate (CID 174657995) is ethyl N-(2-iminobutyl)carbamate.
What is the SMILES notation for ethyl N-(2-iminobutyl)carbamate?
The canonical SMILES for ethyl N-(2-iminobutyl)carbamate is [H]/N=C(\CC)CNC(=O)OCC.
What is the InChIKey of ethyl N-(2-iminobutyl)carbamate?
The InChIKey is VKHWCUPSZGUORP-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-6(8)5-9-7(10)11-4-2/h8H,3-5H2,1-2H3,(H,9,10)/b8-6+.
What are the key properties of ethyl N-(2-iminobutyl)carbamate?
ethyl N-(2-iminobutyl)carbamate has a molecular weight of 158.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-iminobutyl)carbamate is sourced from PubChem (CID 174657995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).