N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine

C13H28N2S — CID 106635829

IUPACN-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CCSCC)CC1CCCCN1
InChIInChI=1S/C13H28N2S/c1-3-9-15(10-11-16-4-2)12-13-7-5-6-8-14-13/h13-14H,3-12H2,1-2H3
InChIKeyNZLOEULXVYLGDZ-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.59
Rot. Bonds8

About N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine

N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106635829) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106635829
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CCSCC)CC1CCCCN1
InChIInChI=1S/C13H28N2S/c1-3-9-15(10-11-16-4-2)12-13-7-5-6-8-14-13/h13-14H,3-12H2,1-2H3
InChIKeyNZLOEULXVYLGDZ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106635862
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106635829) is N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(CCSCC)CC1CCCCN1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is NZLOEULXVYLGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-3-9-15(10-11-16-4-2)12-13-7-5-6-8-14-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106635829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).