5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid

C15H29NO2 — CID 65254850

IUPAC5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
SMILESCCC1CCCN(CCCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C15H29NO2/c1-4-13-7-5-10-16(12-8-13)11-6-9-15(2,3)14(17)18/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyAUXYSHUTPBSDRX-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.39
Rot. Bonds6

About 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid

5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid (PubChem CID 65254850) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
PubChem CID65254850
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
SMILESCCC1CCCN(CCCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C15H29NO2/c1-4-13-7-5-10-16(12-8-13)11-6-9-15(2,3)14(17)18/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyAUXYSHUTPBSDRX-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
CID 65259797
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid
CID 106806311
1-(9-bromononyl)-4-ethylazepane
CID 105343800
2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809648
2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid
CID 106805841
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid?
The IUPAC name of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid (CID 65254850) is 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid is CCC1CCCN(CCCC(C)(C)C(=O)O)CC1.
What is the InChIKey of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid?
The InChIKey is AUXYSHUTPBSDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-13-7-5-10-16(12-8-13)11-6-9-15(2,3)14(17)18/h13H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid?
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65254850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).