4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid

C16H32N2O2 — CID 64710589

IUPAC4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-17-16(3,15(19)20)12-13(2)18(4)14-10-8-6-7-9-11-14/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyGLOLUMNBXWRVAW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds7

About 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid

4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 64710589) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
PubChem CID64710589
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-17-16(3,15(19)20)12-13(2)18(4)14-10-8-6-7-9-11-14/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyGLOLUMNBXWRVAW-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711700
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
CID 64710194
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 105416931
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
2-methyl-2-(methylamino)-4-[methyl-(4-methylcyclohexyl)amino]pentanamide
CID 64709356
4-[cycloheptyl(methyl)amino]pentan-2-one
CID 64696664
4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 102996545

Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid (CID 64710589) is 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CC(C)N(C)C1CCCCCC1)C(=O)O.
What is the InChIKey of 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is GLOLUMNBXWRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-17-16(3,15(19)20)12-13(2)18(4)14-10-8-6-7-9-11-14/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid?
4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 64710589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).