4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

C17H34N2O2 — CID 64711759

IUPAC4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C)(CC(C)N(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-13(2)18-17(4,16(20)21)12-14(3)19(5)15-10-8-6-7-9-11-15/h13-15,18H,6-12H2,1-5H3,(H,20,21)
InChIKeyWTNNRAQZUCSPNX-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.26
Rot. Bonds7

About 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 64711759) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID64711759
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C)(CC(C)N(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-13(2)18-17(4,16(20)21)12-14(3)19(5)15-10-8-6-7-9-11-15/h13-15,18H,6-12H2,1-5H3,(H,20,21)
InChIKeyWTNNRAQZUCSPNX-UHFFFAOYSA-N
XLogP3.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589
4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-methyl-2-(methylamino)-4-[methyl-(4-methylcyclohexyl)amino]pentanamide
CID 64709356
4-[cycloheptyl(methyl)amino]pentan-2-one
CID 64696664
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 79858080
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070

Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 64711759) is 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is CC(C)NC(C)(CC(C)N(C)C1CCCCCC1)C(=O)O.
What is the InChIKey of 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is WTNNRAQZUCSPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)18-17(4,16(20)21)12-14(3)19(5)15-10-8-6-7-9-11-15/h13-15,18H,6-12H2,1-5H3,(H,20,21).
What are the key properties of 4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 298.47 g/mol, XLogP of 3.26, 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-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 64711759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).