2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid

C14H27NO2 — CID 114991466

IUPAC2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
SMILESCCC(C)CC(CC)(C(=O)O)N(C)CC1CC1
InChIInChI=1S/C14H27NO2/c1-5-11(3)9-14(6-2,13(16)17)15(4)10-12-7-8-12/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyNRALIARWWOGUFX-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds8

About 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid

2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid (PubChem CID 114991466) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
PubChem CID114991466
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
SMILESCCC(C)CC(CC)(C(=O)O)N(C)CC1CC1
InChIInChI=1S/C14H27NO2/c1-5-11(3)9-14(6-2,13(16)17)15(4)10-12-7-8-12/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyNRALIARWWOGUFX-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
CID 114987688
2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
CID 114989090
2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid
CID 114996932
2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
CID 114988470
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801439
2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63232980
3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821381
2,2,4-trimethylhexanoic acid
CID 15564208
2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
CID 166239327
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid (CID 114991466) is 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid is CCC(C)CC(CC)(C(=O)O)N(C)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid?
The InChIKey is NRALIARWWOGUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-11(3)9-14(6-2,13(16)17)15(4)10-12-7-8-12/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid?
2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid is sourced from PubChem (CID 114991466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).