N-ethyl-N-(3-methylhexan-3-yl)carbamate

C10H20NO2- — CID 57359337

IUPACN-ethyl-N-(3-methylhexan-3-yl)carbamate
SMILESCCCC(C)(CC)N(CC)C(=O)[O-]
InChIInChI=1S/C10H21NO2/c1-5-8-10(4,6-2)11(7-3)9(12)13/h5-8H2,1-4H3,(H,12,13)/p-1
InChIKeyKZSJOJWAVXKVSC-UHFFFAOYSA-M
MW186.27 g/mol
LogP1.62
Rot. Bonds5

About N-ethyl-N-(3-methylhexan-3-yl)carbamate

N-ethyl-N-(3-methylhexan-3-yl)carbamate (PubChem CID 57359337) has the molecular formula C10H20NO2- and a molecular weight of 186.27 g/mol. Its IUPAC name is N-ethyl-N-(3-methylhexan-3-yl)carbamate.

Molecular Properties

Compound NameN-ethyl-N-(3-methylhexan-3-yl)carbamate
PubChem CID57359337
Molecular FormulaC10H20NO2-
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC NameN-ethyl-N-(3-methylhexan-3-yl)carbamate
SMILESCCCC(C)(CC)N(CC)C(=O)[O-]
InChIInChI=1S/C10H21NO2/c1-5-8-10(4,6-2)11(7-3)9(12)13/h5-8H2,1-4H3,(H,12,13)/p-1
InChIKeyKZSJOJWAVXKVSC-UHFFFAOYSA-M
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylhexan-3-yl)carbamate?
The IUPAC name of N-ethyl-N-(3-methylhexan-3-yl)carbamate (CID 57359337) is N-ethyl-N-(3-methylhexan-3-yl)carbamate.
What is the SMILES notation for N-ethyl-N-(3-methylhexan-3-yl)carbamate?
The canonical SMILES for N-ethyl-N-(3-methylhexan-3-yl)carbamate is CCCC(C)(CC)N(CC)C(=O)[O-].
What is the InChIKey of N-ethyl-N-(3-methylhexan-3-yl)carbamate?
The InChIKey is KZSJOJWAVXKVSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21NO2/c1-5-8-10(4,6-2)11(7-3)9(12)13/h5-8H2,1-4H3,(H,12,13)/p-1.
What are the key properties of N-ethyl-N-(3-methylhexan-3-yl)carbamate?
N-ethyl-N-(3-methylhexan-3-yl)carbamate has a molecular weight of 186.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylhexan-3-yl)carbamate is sourced from PubChem (CID 57359337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).