4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid

C14H28N2O2 — CID 64726747

IUPAC4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)N1CCCCCCC1)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-12(11-14(2,15-3)13(17)18)16-9-7-5-4-6-8-10-16/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyIPVQAXOMTOJXEA-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.09
Rot. Bonds5

About 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid

4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64726747) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64726747
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)N1CCCCCCC1)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-12(11-14(2,15-3)13(17)18)16-9-7-5-4-6-8-10-16/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyIPVQAXOMTOJXEA-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64705520
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813
2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
CID 64702739
4-(azepan-1-yl)-2-methylpentan-2-ol
CID 130905448
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
CID 64725762

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 64726747) is 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CC(C)N1CCCCCCC1)C(=O)O.
What is the InChIKey of 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is IPVQAXOMTOJXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(11-14(2,15-3)13(17)18)16-9-7-5-4-6-8-10-16/h12,15H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 256.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64726747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).