N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine

C16H34N2 — CID 79045179

IUPACN,2,5-trimethyl-2-piperidin-1-yloctan-3-amine
SMILESCCCC(C)CC(NC)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H34N2/c1-6-10-14(2)13-15(17-5)16(3,4)18-11-8-7-9-12-18/h14-15,17H,6-13H2,1-5H3
InChIKeyCSVGGJSASYFVMH-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds7

About N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine

N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine (PubChem CID 79045179) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-2-piperidin-1-yloctan-3-amine
PubChem CID79045179
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN,2,5-trimethyl-2-piperidin-1-yloctan-3-amine
SMILESCCCC(C)CC(NC)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H34N2/c1-6-10-14(2)13-15(17-5)16(3,4)18-11-8-7-9-12-18/h14-15,17H,6-13H2,1-5H3
InChIKeyCSVGGJSASYFVMH-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
CID 79051683
N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine
CID 79055735
N,2-dimethyl-2-piperidin-1-ylheptan-3-amine
CID 79045929
N,2,7-trimethyl-2-piperidin-1-yloctan-3-amine
CID 83161164
2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine
CID 83161902
2-(azepan-1-yl)-N,2,6,6-tetramethylheptan-3-amine
CID 79052542
2-methyl-2-piperidin-1-ylhexan-3-ol
CID 79045077
2-(azepan-1-yl)-N,2-dimethylhept-6-en-3-amine
CID 79050662
cyclohexane;N,4-dimethylheptan-2-amine
CID 144521968
1-cyclopentyl-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79045410
N,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine
CID 79050954

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine?
The IUPAC name of N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine (CID 79045179) is N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine.
What is the SMILES notation for N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine?
The canonical SMILES for N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine is CCCC(C)CC(NC)C(C)(C)N1CCCCC1.
What is the InChIKey of N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine?
The InChIKey is CSVGGJSASYFVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-10-14(2)13-15(17-5)16(3,4)18-11-8-7-9-12-18/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine?
N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine is sourced from PubChem (CID 79045179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).