2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate

C9H15NO2 — CID 142344417

IUPAC2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate
SMILESC#CC(C)(C)OC(=O)NC(C)C
InChIInChI=1S/C9H15NO2/c1-6-9(4,5)12-8(11)10-7(2)3/h1,7H,2-5H3,(H,10,11)
InChIKeyDCHBETFZEZQBPQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.53
Rot. Bonds2

About 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate

2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate (PubChem CID 142344417) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate
PubChem CID142344417
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate
SMILESC#CC(C)(C)OC(=O)NC(C)C
InChIInChI=1S/C9H15NO2/c1-6-9(4,5)12-8(11)10-7(2)3/h1,7H,2-5H3,(H,10,11)
InChIKeyDCHBETFZEZQBPQ-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate 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

tert-butyl N-(3-oxopent-4-yn-2-yl)carbamate
CID 85365205
2-methylbut-3-yn-2-yl 2,2,2-trifluoroacetate
CID 11830027
tert-butyl N-[(3S)-4-oxopent-1-yn-3-yl]carbamate
CID 126732212
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-ynoic acid
CID 11790189
N-(3,4-dimethylpent-1-yn-3-yl)acetamide
CID 11457793
tert-butyl N-[(3S)-5-methylhex-1-yn-3-yl]carbamate
CID 45092127
tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate
CID 75091028
methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(prop-2-ynylamino)butanoate
CID 46845659
[tert-butyl(methyl)amino] N-propan-2-ylcarbamate
CID 151540598
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxobut-3-yn-2-yl]carbamate
CID 126732205
tert-butyl N-[(3R)-6-methylhept-1-yn-3-yl]carbamate
CID 129203415
3,5-dimethylhex-1-yn-3-yl N-methylcarbamate
CID 131864218

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate?
The IUPAC name of 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate (CID 142344417) is 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate?
The canonical SMILES for 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate is C#CC(C)(C)OC(=O)NC(C)C.
What is the InChIKey of 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate?
The InChIKey is DCHBETFZEZQBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-9(4,5)12-8(11)10-7(2)3/h1,7H,2-5H3,(H,10,11).
What are the key properties of 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate?
2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate has a molecular weight of 169.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 142344417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).