4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate

C12H26N2O2 — CID 155574474

IUPAC4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CCN(C)CCC(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)6-8-14(5)9-7-11(3)16-12(15)13-4/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeySOZHMJJBEOXSPO-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.10
Rot. Bonds7

About 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate

4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate (PubChem CID 155574474) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate
PubChem CID155574474
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CCN(C)CCC(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)6-8-14(5)9-7-11(3)16-12(15)13-4/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeySOZHMJJBEOXSPO-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate?
The IUPAC name of 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate (CID 155574474) is 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate.
What is the SMILES notation for 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate?
The canonical SMILES for 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate is CNC(=O)OC(C)CCN(C)CCC(C)C.
What is the InChIKey of 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate?
The InChIKey is SOZHMJJBEOXSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)6-8-14(5)9-7-11(3)16-12(15)13-4/h10-11H,6-9H2,1-5H3,(H,13,15).
What are the key properties of 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate?
4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate has a molecular weight of 230.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate is sourced from PubChem (CID 155574474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).