1-(1-ethylpiperidin-2-yl)pentan-3-amine

C12H26N2 — CID 83982198

IUPAC1-(1-ethylpiperidin-2-yl)pentan-3-amine
SMILESCCC(N)CCC1CCCCN1CC
InChIInChI=1S/C12H26N2/c1-3-11(13)8-9-12-7-5-6-10-14(12)4-2/h11-12H,3-10,13H2,1-2H3
InChIKeyOZSXNQVHKJOWCL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds5

About 1-(1-ethylpiperidin-2-yl)pentan-3-amine

1-(1-ethylpiperidin-2-yl)pentan-3-amine (PubChem CID 83982198) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-2-yl)pentan-3-amine
PubChem CID83982198
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(1-ethylpiperidin-2-yl)pentan-3-amine
SMILESCCC(N)CCC1CCCCN1CC
InChIInChI=1S/C12H26N2/c1-3-11(13)8-9-12-7-5-6-10-14(12)4-2/h11-12H,3-10,13H2,1-2H3
InChIKeyOZSXNQVHKJOWCL-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-ethylpiperidin-1-yl)hexan-3-amine
CID 106799316
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
CID 83982203
1,2-diethylpiperidine
CID 19604037
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
1-ethyl-2-hexadecylpiperidine
CID 159279911
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
(1-ethylazepan-2-yl)methanol
CID 2849413
5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
CID 113497212
2-(2-bromopropyl)-1-ethylpiperidine
CID 126979306
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-2-yl)pentan-3-amine?
The IUPAC name of 1-(1-ethylpiperidin-2-yl)pentan-3-amine (CID 83982198) is 1-(1-ethylpiperidin-2-yl)pentan-3-amine.
What is the SMILES notation for 1-(1-ethylpiperidin-2-yl)pentan-3-amine?
The canonical SMILES for 1-(1-ethylpiperidin-2-yl)pentan-3-amine is CCC(N)CCC1CCCCN1CC.
What is the InChIKey of 1-(1-ethylpiperidin-2-yl)pentan-3-amine?
The InChIKey is OZSXNQVHKJOWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-11(13)8-9-12-7-5-6-10-14(12)4-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-2-yl)pentan-3-amine?
1-(1-ethylpiperidin-2-yl)pentan-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-2-yl)pentan-3-amine is sourced from PubChem (CID 83982198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).