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

C9H19NO2 — CID 175267740

IUPACmethyl(3-methylhexan-3-yl)carbamic acid
SMILESCCCC(C)(CC)N(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-7-9(3,6-2)10(4)8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyUKFDPXJMSGWMMO-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.57
Rot. Bonds4

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

methyl(3-methylhexan-3-yl)carbamic acid (PubChem CID 175267740) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl(3-methylhexan-3-yl)carbamic acid.

Molecular Properties

Compound Namemethyl(3-methylhexan-3-yl)carbamic acid
PubChem CID175267740
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl(3-methylhexan-3-yl)carbamic acid
SMILESCCCC(C)(CC)N(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-7-9(3,6-2)10(4)8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyUKFDPXJMSGWMMO-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl(3-methylhexan-3-yl)carbamic acid?
The IUPAC name of methyl(3-methylhexan-3-yl)carbamic acid (CID 175267740) is methyl(3-methylhexan-3-yl)carbamic acid.
What is the SMILES notation for methyl(3-methylhexan-3-yl)carbamic acid?
The canonical SMILES for methyl(3-methylhexan-3-yl)carbamic acid is CCCC(C)(CC)N(C)C(=O)O.
What is the InChIKey of methyl(3-methylhexan-3-yl)carbamic acid?
The InChIKey is UKFDPXJMSGWMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7-9(3,6-2)10(4)8(11)12/h5-7H2,1-4H3,(H,11,12).
What are the key properties of methyl(3-methylhexan-3-yl)carbamic acid?
methyl(3-methylhexan-3-yl)carbamic acid has a molecular weight of 173.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(3-methylhexan-3-yl)carbamic acid is sourced from PubChem (CID 175267740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).