methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate

C15H29NO2 — CID 106489566

IUPACmethyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate
SMILESCCCCC(CC)CC(CN)(C(=O)OC)C1CC1
InChIInChI=1S/C15H29NO2/c1-4-6-7-12(5-2)10-15(11-16,13-8-9-13)14(17)18-3/h12-13H,4-11,16H2,1-3H3
InChIKeyQHSAATIFFCGSBI-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.12
Rot. Bonds9

About methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate

methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate (PubChem CID 106489566) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate
PubChem CID106489566
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate
SMILESCCCCC(CC)CC(CN)(C(=O)OC)C1CC1
InChIInChI=1S/C15H29NO2/c1-4-6-7-12(5-2)10-15(11-16,13-8-9-13)14(17)18-3/h12-13H,4-11,16H2,1-3H3
InChIKeyQHSAATIFFCGSBI-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate 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

2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoic acid
CID 106489741
methyl 2-(aminomethyl)-4-butoxy-2-cyclopropylbutanoate
CID 106489481
ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
CID 63919943
ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
CID 63919547
2-cyclopropyl-2-(ethylamino)-3-(2-ethylhexoxy)propanamide
CID 63919546
methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
CID 107816750
methyl 3-amino-2-[(4-amino-3-fluorophenyl)methyl]-2-cyclopropylpropanoate
CID 106489495
methyl 4-ethyl-2-oxooctanoate
CID 87175100
tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate
CID 141476577
2-ethylhexyl 3-cyclopentylpropanoate
CID 543877
dicyclohexyl 2-ethyl-2-(2-ethylhexyl)butanedioate
CID 137405290
2,2,4-triethyloctan-1-amine
CID 63522335

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate (CID 106489566) is methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate is CCCCC(CC)CC(CN)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate?
The InChIKey is QHSAATIFFCGSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-7-12(5-2)10-15(11-16,13-8-9-13)14(17)18-3/h12-13H,4-11,16H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate?
methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate has a molecular weight of 255.40 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-cyclopropyl-4-ethyloctanoate is sourced from PubChem (CID 106489566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).