2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid

C17H34N2O2 — CID 106805952

IUPAC2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
SMILESCCNC(CC)(CCCN(C)C1CCCC(C)C1)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-17(16(20)21,18-6-2)11-8-12-19(4)15-10-7-9-14(3)13-15/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeySCVBKDBACPQBRH-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.12
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid

2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid (PubChem CID 106805952) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
PubChem CID106805952
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
SMILESCCNC(CC)(CCCN(C)C1CCCC(C)C1)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-17(16(20)21,18-6-2)11-8-12-19(4)15-10-7-9-14(3)13-15/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeySCVBKDBACPQBRH-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclohexylmethylamino)-4-methylpentanoic acid
CID 18380671
(2S)-2-(cyclohexylmethylamino)-4-methylpentanoic acid
CID 52169986
(2S)-2-(cyclohexanecarbonylamino)-5-(dimethylamino)pentanoic acid
CID 53885955
2-Methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid
CID 61339773
(2R)-5-amino-2-(methylamino)pentanoic acid;2-[cyclohexyl(methyl)amino]propanoic acid
CID 67296013
(2S)-5-amino-2-(methylamino)pentanoic acid;(2S)-2-[cyclohexyl(methyl)amino]propanoic acid
CID 67296016
2-[[(2S)-1-cyclohexylpropan-2-yl]amino]pentanoic acid
CID 69323811
(2S)-2-(1-cyclohexylpropan-2-ylamino)pentanoic acid
CID 69323812
(2S)-2-(cyclohexylmethylamino)pentanoic acid
CID 69544385
2-(Dimethylamino)-2-piperidin-4-ylacetic acid
CID 84770133
[1-Carboxy-4-(undecylamino)butyl]-trimethylazanium
CID 87481442
[1-Carboxy-4-(cyclohexanecarbonylamino)butyl]-trimethylazanium
CID 87520099

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid (CID 106805952) is 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid is CCNC(CC)(CCCN(C)C1CCCC(C)C1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid?
The InChIKey is SCVBKDBACPQBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-17(16(20)21,18-6-2)11-8-12-19(4)15-10-7-9-14(3)13-15/h14-15,18H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid?
2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid has a molecular weight of 298.47 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 106805952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).