2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid

C15H30N2O2 — CID 104691575

IUPAC2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid
SMILESCCNC(C)(CCN1CCCCCC1CC)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-4-13-9-7-6-8-11-17(13)12-10-15(3,14(18)19)16-5-2/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyRTFUPIRPWBPBQE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.48
Rot. Bonds7

About 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid

2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid (PubChem CID 104691575) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid
PubChem CID104691575
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid
SMILESCCNC(C)(CCN1CCCCCC1CC)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-4-13-9-7-6-8-11-17(13)12-10-15(3,14(18)19)16-5-2/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyRTFUPIRPWBPBQE-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic 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

5-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 104691702
3-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 104691653
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83061908
2-(ethylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64798507
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
2-[(2-ethylazepane-1-carbonyl)amino]-2-methylbutanoic acid
CID 113441850
1-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-2-ol
CID 104692759
2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
CID 104692730
2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
CID 83045392

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid?
The IUPAC name of 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid (CID 104691575) is 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid is CCNC(C)(CCN1CCCCCC1CC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid?
The InChIKey is RTFUPIRPWBPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-13-9-7-6-8-11-17(13)12-10-15(3,14(18)19)16-5-2/h13,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid?
2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 104691575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).