ethyl(3-methylhexan-3-yl)carbamic acid

C10H21NO2 — CID 57359338

IUPACethyl(3-methylhexan-3-yl)carbamic acid
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)
InChIKeyKZSJOJWAVXKVSC-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.96
Rot. Bonds5

About ethyl(3-methylhexan-3-yl)carbamic acid

ethyl(3-methylhexan-3-yl)carbamic acid (PubChem CID 57359338) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl(3-methylhexan-3-yl)carbamic acid.

Molecular Properties

Compound Nameethyl(3-methylhexan-3-yl)carbamic acid
PubChem CID57359338
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl(3-methylhexan-3-yl)carbamic acid
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)
InChIKeyKZSJOJWAVXKVSC-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethyl(3-methylhexan-3-yl)carbamic acid?
The IUPAC name of ethyl(3-methylhexan-3-yl)carbamic acid (CID 57359338) is ethyl(3-methylhexan-3-yl)carbamic acid.
What is the SMILES notation for ethyl(3-methylhexan-3-yl)carbamic acid?
The canonical SMILES for ethyl(3-methylhexan-3-yl)carbamic acid is CCCC(C)(CC)N(CC)C(=O)O.
What is the InChIKey of ethyl(3-methylhexan-3-yl)carbamic acid?
The InChIKey is KZSJOJWAVXKVSC-UHFFFAOYSA-N. 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).
What are the key properties of ethyl(3-methylhexan-3-yl)carbamic acid?
ethyl(3-methylhexan-3-yl)carbamic acid has a molecular weight of 187.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(3-methylhexan-3-yl)carbamic acid is sourced from PubChem (CID 57359338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).