2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine

C16H34N2S — CID 114628792

IUPAC2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
SMILESCCCCCC(C)(C)CNCCSC1CCNCC1
InChIInChI=1S/C16H34N2S/c1-4-5-6-9-16(2,3)14-18-12-13-19-15-7-10-17-11-8-15/h15,17-18H,4-14H2,1-3H3
InChIKeyPELHFTMAZKEJAI-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.67
Rot. Bonds10

About 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine

2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine (PubChem CID 114628792) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
PubChem CID114628792
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC Name2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
SMILESCCCCCC(C)(C)CNCCSC1CCNCC1
InChIInChI=1S/C16H34N2S/c1-4-5-6-9-16(2,3)14-18-12-13-19-15-7-10-17-11-8-15/h15,17-18H,4-14H2,1-3H3
InChIKeyPELHFTMAZKEJAI-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine
CID 116680290
1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628856
N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
CID 114628548
2,2-dimethyl-N-(2-piperidin-4-ylethyl)pentan-1-amine
CID 115211733
2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
CID 114628486
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628852
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628849

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine (CID 114628792) is 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine is CCCCCC(C)(C)CNCCSC1CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine?
The InChIKey is PELHFTMAZKEJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-4-5-6-9-16(2,3)14-18-12-13-19-15-7-10-17-11-8-15/h15,17-18H,4-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine?
2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine has a molecular weight of 286.53 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine is sourced from PubChem (CID 114628792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).