3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine

C13H28N2S — CID 43180624

IUPAC3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCNCCCN1CCCCC1C
InChIInChI=1S/C13H28N2S/c1-13-7-3-4-10-15(13)11-5-8-14-9-6-12-16-2/h13-14H,3-12H2,1-2H3
InChIKeyDJJAITPRPRSWGW-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.59
Rot. Bonds8

About 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine

3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine (PubChem CID 43180624) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
PubChem CID43180624
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCNCCCN1CCCCC1C
InChIInChI=1S/C13H28N2S/c1-13-7-3-4-10-15(13)11-5-8-14-9-6-12-16-2/h13-14H,3-12H2,1-2H3
InChIKeyDJJAITPRPRSWGW-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

3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-methylsulfanylpropyl)guanidine
CID 111786167
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
CID 114209368
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 103178390
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine (CID 43180624) is 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine is CSCCCNCCCN1CCCCC1C.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine?
The InChIKey is DJJAITPRPRSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-13-7-3-4-10-15(13)11-5-8-14-9-6-12-16-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)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 3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 43180624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).