1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine

C12H24N2S — CID 115719869

IUPAC1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine
SMILESCC1CC(NCC2CCSCC2)CN1C
InChIInChI=1S/C12H24N2S/c1-10-7-12(9-14(10)2)13-8-11-3-5-15-6-4-11/h10-13H,3-9H2,1-2H3
InChIKeyLHHPSCWFMDBXDW-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds3

About 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine

1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 115719869) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine
PubChem CID115719869
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine
SMILESCC1CC(NCC2CCSCC2)CN1C
InChIInChI=1S/C12H24N2S/c1-10-7-12(9-14(10)2)13-8-11-3-5-15-6-4-11/h10-13H,3-9H2,1-2H3
InChIKeyLHHPSCWFMDBXDW-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrrolidin-3-amine
CID 81328588
1,5-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115712930
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81297545
1,5-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107417196
1,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 115712513
1,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-amine
CID 115717377
4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 104530194
N-[(1,2-dimethylpiperidin-4-yl)methyl]cyclopropanamine
CID 83906698
N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
CID 115406076
N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81332868
N-(2-methoxypropyl)-1,5-dimethylpyrrolidin-3-amine
CID 102696242
N-cyclopropyl-1,5-dimethylpyrrolidin-3-amine
CID 81302091

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine (CID 115719869) is 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine is CC1CC(NCC2CCSCC2)CN1C.
What is the InChIKey of 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is LHHPSCWFMDBXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-7-12(9-14(10)2)13-8-11-3-5-15-6-4-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine?
1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115719869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).