2-methylpropyl N,N-bis(2-methylpropyl)carbamate

C13H27NO2 — CID 59217991

IUPAC2-methylpropyl N,N-bis(2-methylpropyl)carbamate
SMILESCC(C)COC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)7-14(8-11(3)4)13(15)16-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyXZROWWVBAKDDEX-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.39
Rot. Bonds6

About 2-methylpropyl N,N-bis(2-methylpropyl)carbamate

2-methylpropyl N,N-bis(2-methylpropyl)carbamate (PubChem CID 59217991) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methylpropyl N,N-bis(2-methylpropyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-bis(2-methylpropyl)carbamate
PubChem CID59217991
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methylpropyl N,N-bis(2-methylpropyl)carbamate
SMILESCC(C)COC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)7-14(8-11(3)4)13(15)16-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyXZROWWVBAKDDEX-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-bis(2-methylpropyl)carbamate?
The IUPAC name of 2-methylpropyl N,N-bis(2-methylpropyl)carbamate (CID 59217991) is 2-methylpropyl N,N-bis(2-methylpropyl)carbamate.
What is the SMILES notation for 2-methylpropyl N,N-bis(2-methylpropyl)carbamate?
The canonical SMILES for 2-methylpropyl N,N-bis(2-methylpropyl)carbamate is CC(C)COC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-methylpropyl N,N-bis(2-methylpropyl)carbamate?
The InChIKey is XZROWWVBAKDDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)7-14(8-11(3)4)13(15)16-9-12(5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-methylpropyl N,N-bis(2-methylpropyl)carbamate?
2-methylpropyl N,N-bis(2-methylpropyl)carbamate has a molecular weight of 229.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-bis(2-methylpropyl)carbamate is sourced from PubChem (CID 59217991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).