1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine

C17H36N2 — CID 63468589

IUPAC1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCC(CC)(CC)CC1
InChIInChI=1S/C17H36N2/c1-5-9-16(18-12-6-2)15-19-13-10-17(7-3,8-4)11-14-19/h16,18H,5-15H2,1-4H3
InChIKeyGJEOWSWTOXZRJH-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine

1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine (PubChem CID 63468589) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine
PubChem CID63468589
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCC(CC)(CC)CC1
InChIInChI=1S/C17H36N2/c1-5-9-16(18-12-6-2)15-19-13-10-17(7-3,8-4)11-14-19/h16,18H,5-15H2,1-4H3
InChIKeyGJEOWSWTOXZRJH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468229
1-(8-azaspiro[4.5]decan-8-yl)-N-propylpentan-2-amine
CID 63469319
N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63610034
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146
1-(3,5-dimethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 62042262
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine
CID 65281081
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)propan-1-ol
CID 64791856
4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691
1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine
CID 62043567
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine (CID 63468589) is 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine is CCCNC(CCC)CN1CCC(CC)(CC)CC1.
What is the InChIKey of 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine?
The InChIKey is GJEOWSWTOXZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-9-16(18-12-6-2)15-19-13-10-17(7-3,8-4)11-14-19/h16,18H,5-15H2,1-4H3.
What are the key properties of 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine?
1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 63468589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).