2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine

C14H30N2S — CID 113473678

IUPAC2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCSCCCN1CCCCC1CNCC(C)C
InChIInChI=1S/C14H30N2S/c1-13(2)11-15-12-14-7-4-5-8-16(14)9-6-10-17-3/h13-15H,4-12H2,1-3H3
InChIKeySLRLAJRCWQVRTP-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds8

About 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 113473678) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID113473678
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCSCCCN1CCCCC1CNCC(C)C
InChIInChI=1S/C14H30N2S/c1-13(2)11-15-12-14-7-4-5-8-16(14)9-6-10-17-3/h13-15H,4-12H2,1-3H3
InChIKeySLRLAJRCWQVRTP-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.84
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-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
2-methyl-N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63528021
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 63528195
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
2-methyl-N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 64567531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine (CID 113473678) is 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine is CSCCCN1CCCCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is SLRLAJRCWQVRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-13(2)11-15-12-14-7-4-5-8-16(14)9-6-10-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 258.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 113473678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).