Skip to content

Isobutylcarbamate, N-isopentyl

C10H21NO2 — CID 58371763

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methylpropyl N-(3-methylbutyl)carbamate
SMILESCC(C)CCNC(=O)OCC(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)5-6-11-10(12)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyYKOGCEHPFADOFB-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.41
Rot. Bonds5

About Isobutylcarbamate, N-isopentyl

Isobutylcarbamate, N-isopentyl (PubChem CID 58371763) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methylpropyl N-(3-methylbutyl)carbamate.

Molecular Properties

Compound NameIsobutylcarbamate, N-isopentyl
PubChem CID58371763
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methylpropyl N-(3-methylbutyl)carbamate
SMILESCC(C)CCNC(=O)OCC(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)5-6-11-10(12)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyYKOGCEHPFADOFB-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze Isobutylcarbamate, N-isopentyl with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Isobutylcarbamate, N-isopentyl?
The IUPAC name of Isobutylcarbamate, N-isopentyl (CID 58371763) is 2-methylpropyl N-(3-methylbutyl)carbamate.
What is the SMILES notation for Isobutylcarbamate, N-isopentyl?
The canonical SMILES for Isobutylcarbamate, N-isopentyl is CC(C)CCNC(=O)OCC(C)C.
What is the InChIKey of Isobutylcarbamate, N-isopentyl?
The InChIKey is YKOGCEHPFADOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)5-6-11-10(12)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of Isobutylcarbamate, N-isopentyl?
Isobutylcarbamate, N-isopentyl has a molecular weight of 187.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Isobutylcarbamate, N-isopentyl is sourced from PubChem (CID 58371763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.