2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid

C14H27NO2 — CID 106489741

IUPAC2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
SMILESCCCCC(CC)CC(CN)(C(=O)O)C1CC1
InChIInChI=1S/C14H27NO2/c1-3-5-6-11(4-2)9-14(10-15,13(16)17)12-7-8-12/h11-12H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyDHLFSMJXWSDLJM-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds9

About 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid

2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid (PubChem CID 106489741) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
PubChem CID106489741
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
SMILESCCCCC(CC)CC(CN)(C(=O)O)C1CC1
InChIInChI=1S/C14H27NO2/c1-3-5-6-11(4-2)9-14(10-15,13(16)17)12-7-8-12/h11-12H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyDHLFSMJXWSDLJM-UHFFFAOYSA-N
XLogP3.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate
CID 106489566
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
4-ethyl-2-methyl-2-propan-2-yloctanoic acid
CID 83148291
2-(aminomethyl)-2-cyclopropyl-5-fluoropentanoic acid
CID 106489665
5,5-bis(2-ethylhexyl)nonanedioic acid
CID 141156273
3-benzyl-5-ethyl-3-(4-methylcyclohexyl)nonanoic acid
CID 121349071
2,2,4-triethyloctan-1-amine
CID 63522335
2-(aminomethyl)-2,4-diethyloctan-1-ol
CID 106508240
4,4-bis(2-ethylhexyl)heptanedioic acid
CID 172816539
2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
CID 107708251
2-(aminomethyl)-2-cyclopropyl-5-methylsulfonylpentanoic acid
CID 106489655
ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
CID 63919943

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid (CID 106489741) is 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid is CCCCC(CC)CC(CN)(C(=O)O)C1CC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid?
The InChIKey is DHLFSMJXWSDLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-6-11(4-2)9-14(10-15,13(16)17)12-7-8-12/h11-12H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid?
2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid is sourced from PubChem (CID 106489741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).