1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine

C15H31NS — CID 65134979

IUPAC1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(CSCC(C)C)CC1CCCC1
InChIInChI=1S/C15H31NS/c1-4-9-16-15(12-17-11-13(2)3)10-14-7-5-6-8-14/h13-16H,4-12H2,1-3H3
InChIKeyLLTBMZUBLZOBQV-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.32
Rot. Bonds9

About 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine

1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine (PubChem CID 65134979) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
PubChem CID65134979
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(CSCC(C)C)CC1CCCC1
InChIInChI=1S/C15H31NS/c1-4-9-16-15(12-17-11-13(2)3)10-14-7-5-6-8-14/h13-16H,4-12H2,1-3H3
InChIKeyLLTBMZUBLZOBQV-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65135768
1-(cyclopentylmethylsulfanyl)-N-propylpentan-2-amine
CID 64627212
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
N-[1-cyclopropyl-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 64610493
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821
1-cyclobutyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105151820

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine (CID 65134979) is 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine is CCCNC(CSCC(C)C)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The InChIKey is LLTBMZUBLZOBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-4-9-16-15(12-17-11-13(2)3)10-14-7-5-6-8-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine has a molecular weight of 257.49 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine is sourced from PubChem (CID 65134979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).