3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine

C15H25N3S — CID 79957696

IUPAC3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine
SMILESCC1SCCCC1(CN)N(C)CCc1ccccn1
InChIInChI=1S/C15H25N3S/c1-13-15(12-16,8-5-11-19-13)18(2)10-7-14-6-3-4-9-17-14/h3-4,6,9,13H,5,7-8,10-12,16H2,1-2H3
InChIKeyFPNBZEYCHVCQFB-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.17
Rot. Bonds5

About 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine

3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine (PubChem CID 79957696) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine
PubChem CID79957696
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine
SMILESCC1SCCCC1(CN)N(C)CCc1ccccn1
InChIInChI=1S/C15H25N3S/c1-13-15(12-16,8-5-11-19-13)18(2)10-7-14-6-3-4-9-17-14/h3-4,6,9,13H,5,7-8,10-12,16H2,1-2H3
InChIKeyFPNBZEYCHVCQFB-UHFFFAOYSA-N
XLogP2.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 43564802
1-(aminomethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]cyclohexan-1-ol
CID 117039421
3-(aminomethyl)-N,1,5-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 81468284
1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 65212670
1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
CID 62006003
3-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thian-3-amine
CID 79952313
1-(aminomethyl)-3-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 106821725
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 65479518
2-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-amine
CID 82768381
3-(aminomethyl)-N,2-dimethyl-N-pentan-3-ylthian-3-amine
CID 79956979
1-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677728

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine (CID 79957696) is 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine is CC1SCCCC1(CN)N(C)CCc1ccccn1.
What is the InChIKey of 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine?
The InChIKey is FPNBZEYCHVCQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-13-15(12-16,8-5-11-19-13)18(2)10-7-14-6-3-4-9-17-14/h3-4,6,9,13H,5,7-8,10-12,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine?
3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine has a molecular weight of 279.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine is sourced from PubChem (CID 79957696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).