N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine

C13H28N2OS — CID 114238400

IUPACN-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
SMILESCOCCCNCC(C)N1CCC(SC)CC1
InChIInChI=1S/C13H28N2OS/c1-12(11-14-7-4-10-16-2)15-8-5-13(17-3)6-9-15/h12-14H,4-11H2,1-3H3
InChIKeyLVKYEPNAJYHFCW-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.83
Rot. Bonds8

About N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine

N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine (PubChem CID 114238400) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
PubChem CID114238400
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC NameN-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
SMILESCOCCCNCC(C)N1CCC(SC)CC1
InChIInChI=1S/C13H28N2OS/c1-12(11-14-7-4-10-16-2)15-8-5-13(17-3)6-9-15/h12-14H,4-11H2,1-3H3
InChIKeyLVKYEPNAJYHFCW-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 62556427
N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63007462
2-(4,4-dimethylazepan-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 65286526
N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 63167885
N-(2-methylpropyl)-3-(4-methylsulfanylazepan-1-yl)butan-1-amine
CID 114238356
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63167781
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
N-tert-butyl-4-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238304
2-(4-tert-butylpiperazin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569252
2-N-cyclopropyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569883

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine (CID 114238400) is N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine is COCCCNCC(C)N1CCC(SC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine?
The InChIKey is LVKYEPNAJYHFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-12(11-14-7-4-10-16-2)15-8-5-13(17-3)6-9-15/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine?
N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine has a molecular weight of 260.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 114238400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).