methyl N-butyl-N-(2-methylpropyl)carbamate

C10H21NO2 — CID 170640282

IUPACmethyl N-butyl-N-(2-methylpropyl)carbamate
SMILESCCCCN(CC(C)C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-6-7-11(8-9(2)3)10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyKSUOFJKSAWNBCS-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.51
Rot. Bonds5

About methyl N-butyl-N-(2-methylpropyl)carbamate

methyl N-butyl-N-(2-methylpropyl)carbamate (PubChem CID 170640282) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl N-butyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-butyl-N-(2-methylpropyl)carbamate
PubChem CID170640282
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl N-butyl-N-(2-methylpropyl)carbamate
SMILESCCCCN(CC(C)C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-6-7-11(8-9(2)3)10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyKSUOFJKSAWNBCS-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl N-butyl-N-(2-methylpropyl)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

butyl(2-methylpropyl)carbamothioic S-acid
CID 88753781
methyl N-butyl-N-hydroxycarbamate
CID 87729012
N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
CID 168941081
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propanoate
CID 156850157
N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide
CID 91044553
methyl N-(cyanomethyl)-N-dodecylcarbamate
CID 11011471
N-butyl-N-(2-methylpropyl)thiohydroxylamine
CID 155330596
S-propan-2-yl N,N-dibutylcarbamothioate
CID 121012094
2-methylpropyl N-ethyl-N-tetradecylcarbamate
CID 58096503
N,N-dibutylbutan-1-amine;methyl hydrogen carbonate
CID 175024513
sulfanyl N,N-bis(2-methylpropyl)carbamate
CID 174893639

Frequently Asked Questions

What is the IUPAC name of methyl N-butyl-N-(2-methylpropyl)carbamate?
The IUPAC name of methyl N-butyl-N-(2-methylpropyl)carbamate (CID 170640282) is methyl N-butyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for methyl N-butyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for methyl N-butyl-N-(2-methylpropyl)carbamate is CCCCN(CC(C)C)C(=O)OC.
What is the InChIKey of methyl N-butyl-N-(2-methylpropyl)carbamate?
The InChIKey is KSUOFJKSAWNBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-7-11(8-9(2)3)10(12)13-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl N-butyl-N-(2-methylpropyl)carbamate?
methyl N-butyl-N-(2-methylpropyl)carbamate has a molecular weight of 187.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-butyl-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 170640282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).