[tert-butyl(methyl)amino] N-propan-2-ylcarbamate

C9H20N2O2 — CID 151540598

IUPAC[tert-butyl(methyl)amino] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)ON(C)C(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-8(12)13-11(6)9(3,4)5/h7H,1-6H3,(H,10,12)
InChIKeyPYJXAWCXHQTWGG-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.77
Rot. Bonds2

About [tert-butyl(methyl)amino] N-propan-2-ylcarbamate

[tert-butyl(methyl)amino] N-propan-2-ylcarbamate (PubChem CID 151540598) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is [tert-butyl(methyl)amino] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[tert-butyl(methyl)amino] N-propan-2-ylcarbamate
PubChem CID151540598
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name[tert-butyl(methyl)amino] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)ON(C)C(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-8(12)13-11(6)9(3,4)5/h7H,1-6H3,(H,10,12)
InChIKeyPYJXAWCXHQTWGG-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylbut-3-yn-2-yl N-propan-2-ylcarbamate
CID 142344417
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
1-methyl-3-propan-2-yl-1-(trifluoromethyl)urea
CID 166564956
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 64685273
3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 63679818

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(methyl)amino] N-propan-2-ylcarbamate?
The IUPAC name of [tert-butyl(methyl)amino] N-propan-2-ylcarbamate (CID 151540598) is [tert-butyl(methyl)amino] N-propan-2-ylcarbamate.
What is the SMILES notation for [tert-butyl(methyl)amino] N-propan-2-ylcarbamate?
The canonical SMILES for [tert-butyl(methyl)amino] N-propan-2-ylcarbamate is CC(C)NC(=O)ON(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(methyl)amino] N-propan-2-ylcarbamate?
The InChIKey is PYJXAWCXHQTWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)10-8(12)13-11(6)9(3,4)5/h7H,1-6H3,(H,10,12).
What are the key properties of [tert-butyl(methyl)amino] N-propan-2-ylcarbamate?
[tert-butyl(methyl)amino] N-propan-2-ylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(methyl)amino] N-propan-2-ylcarbamate is sourced from PubChem (CID 151540598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).