[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid

C11H24N2O3 — CID 175166936

IUPAC[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
SMILESCC(C)(CCC(C)(C)OCCN)NC(=O)O
InChIInChI=1S/C11H24N2O3/c1-10(2,13-9(14)15)5-6-11(3,4)16-8-7-12/h13H,5-8,12H2,1-4H3,(H,14,15)
InChIKeyLVMHCOBINWSGJY-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.57
Rot. Bonds7

About [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid

[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid (PubChem CID 175166936) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
PubChem CID175166936
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
SMILESCC(C)(CCC(C)(C)OCCN)NC(=O)O
InChIInChI=1S/C11H24N2O3/c1-10(2,13-9(14)15)5-6-11(3,4)16-8-7-12/h13H,5-8,12H2,1-4H3,(H,14,15)
InChIKeyLVMHCOBINWSGJY-UHFFFAOYSA-N
XLogP1.57
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
CID 118419337
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
CID 166658175
ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
CID 122544664
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide
CID 166947124
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide
CID 134259952
[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
CID 174694781

Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid?
The IUPAC name of [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid (CID 175166936) is [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid.
What is the SMILES notation for [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid?
The canonical SMILES for [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid is CC(C)(CCC(C)(C)OCCN)NC(=O)O.
What is the InChIKey of [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid?
The InChIKey is LVMHCOBINWSGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-10(2,13-9(14)15)5-6-11(3,4)16-8-7-12/h13H,5-8,12H2,1-4H3,(H,14,15).
What are the key properties of [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid?
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid has a molecular weight of 232.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid is sourced from PubChem (CID 175166936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).