3-methyliminopropyl carbamate

C5H10N2O2 — CID 142872517

IUPAC3-methyliminopropyl carbamate
SMILESC/N=C/CCOC(N)=O
InChIInChI=1S/C5H10N2O2/c1-7-3-2-4-9-5(6)8/h3H,2,4H2,1H3,(H2,6,8)/b7-3+
InChIKeyQJNGIPHZPDUENV-XVNBXDOJSA-N
MW130.15 g/mol
LogP0.17
Rot. Bonds3

About 3-methyliminopropyl carbamate

3-methyliminopropyl carbamate (PubChem CID 142872517) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-methyliminopropyl carbamate.

Molecular Properties

Compound Name3-methyliminopropyl carbamate
PubChem CID142872517
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-methyliminopropyl carbamate
SMILESC/N=C/CCOC(N)=O
InChIInChI=1S/C5H10N2O2/c1-7-3-2-4-9-5(6)8/h3H,2,4H2,1H3,(H2,6,8)/b7-3+
InChIKeyQJNGIPHZPDUENV-XVNBXDOJSA-N
XLogP0.17
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyliminopropyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
ethyl N-(2-cyanoethylidene)carbamate
CID 90733859
ethyl N-butylidenecarbamate
CID 56612191
ethyl N-propylidenecarbamate
CID 56616575
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate
CID 57086784
[(1R)-1-(methylideneamino)ethyl] carbamate
CID 163861509
[2,2-Dimethyl-1-(methylideneamino)propyl] carbamate
CID 164133727
propan-2-yl (NE)-N-(2-carbamoyloxypropylidene)carbamate
CID 167529588
4-Iminobutan-2-yl carbamate
CID 174549383
[(2R)-4-iminobutan-2-yl] carbamate
CID 174564321
3-Iminopropyl carbamate
CID 175309831

Frequently Asked Questions

What is the IUPAC name of 3-methyliminopropyl carbamate?
The IUPAC name of 3-methyliminopropyl carbamate (CID 142872517) is 3-methyliminopropyl carbamate.
What is the SMILES notation for 3-methyliminopropyl carbamate?
The canonical SMILES for 3-methyliminopropyl carbamate is C/N=C/CCOC(N)=O.
What is the InChIKey of 3-methyliminopropyl carbamate?
The InChIKey is QJNGIPHZPDUENV-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7-3-2-4-9-5(6)8/h3H,2,4H2,1H3,(H2,6,8)/b7-3+.
What are the key properties of 3-methyliminopropyl carbamate?
3-methyliminopropyl carbamate has a molecular weight of 130.15 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminopropyl carbamate is sourced from PubChem (CID 142872517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).