2-(4,4-diethylpiperidin-1-yl)octan-1-amine

C17H36N2 — CID 55192466

IUPAC2-(4,4-diethylpiperidin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCC(CC)(CC)CC1
InChIInChI=1S/C17H36N2/c1-4-7-8-9-10-16(15-18)19-13-11-17(5-2,6-3)12-14-19/h16H,4-15,18H2,1-3H3
InChIKeyHDUNQGUBZUWYHT-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.19
Rot. Bonds9

About 2-(4,4-diethylpiperidin-1-yl)octan-1-amine

2-(4,4-diethylpiperidin-1-yl)octan-1-amine (PubChem CID 55192466) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)octan-1-amine.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)octan-1-amine
PubChem CID55192466
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-(4,4-diethylpiperidin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCC(CC)(CC)CC1
InChIInChI=1S/C17H36N2/c1-4-7-8-9-10-16(15-18)19-13-11-17(5-2,6-3)12-14-19/h16H,4-15,18H2,1-3H3
InChIKeyHDUNQGUBZUWYHT-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-thiomorpholin-4-ylheptan-1-amine
CID 43130462
2-(4,4-dimethylpiperidin-1-yl)hexan-1-amine
CID 62937913
2-(4,4-diethylpiperidin-1-yl)-4-methylpentan-1-amine
CID 63156923
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
2-imidazolidin-1-ylnonadecan-1-amine
CID 70543181
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
1-octadecan-4-ylaziridine
CID 87223215

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)octan-1-amine?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)octan-1-amine (CID 55192466) is 2-(4,4-diethylpiperidin-1-yl)octan-1-amine.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)octan-1-amine?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)octan-1-amine is CCCCCCC(CN)N1CCC(CC)(CC)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)octan-1-amine?
The InChIKey is HDUNQGUBZUWYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-7-8-9-10-16(15-18)19-13-11-17(5-2,6-3)12-14-19/h16H,4-15,18H2,1-3H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)octan-1-amine?
2-(4,4-diethylpiperidin-1-yl)octan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)octan-1-amine is sourced from PubChem (CID 55192466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).