propan-2-yl N-butyl-N-methylcarbamate

C9H19NO2 — CID 88569696

IUPACpropan-2-yl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)OC(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-7-10(4)9(11)12-8(2)3/h8H,5-7H2,1-4H3
InChIKeyJTNWCUIIJHGAMV-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds4

About propan-2-yl N-butyl-N-methylcarbamate

propan-2-yl N-butyl-N-methylcarbamate (PubChem CID 88569696) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propan-2-yl N-butyl-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-butyl-N-methylcarbamate
PubChem CID88569696
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namepropan-2-yl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)OC(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-7-10(4)9(11)12-8(2)3/h8H,5-7H2,1-4H3
InChIKeyJTNWCUIIJHGAMV-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 16674
CID 16674
CID 79230
CID 79230
CID 23416
CID 23416
CID 239243
CID 239243
CID 129671671
CID 129671671
CID 231820
CID 231820
CID 4231384
CID 4231384
CID 11775995
CID 11775995
CID 13751145
CID 13751145
CID 18005800
CID 18005800
CID 21523735
CID 21523735
CID 45119301
CID 45119301

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-butyl-N-methylcarbamate?
The IUPAC name of propan-2-yl N-butyl-N-methylcarbamate (CID 88569696) is propan-2-yl N-butyl-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-butyl-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-butyl-N-methylcarbamate is CCCCN(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-butyl-N-methylcarbamate?
The InChIKey is JTNWCUIIJHGAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-7-10(4)9(11)12-8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of propan-2-yl N-butyl-N-methylcarbamate?
propan-2-yl N-butyl-N-methylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-butyl-N-methylcarbamate is sourced from PubChem (CID 88569696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).