1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine

C13H22N2S — CID 107749133

IUPAC1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine
SMILESCC(C)CCSC(c1ccccn1)C(C)N
InChIInChI=1S/C13H22N2S/c1-10(2)7-9-16-13(11(3)14)12-6-4-5-8-15-12/h4-6,8,10-11,13H,7,9,14H2,1-3H3
InChIKeyKCTQURUWBGHIPR-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.25
Rot. Bonds6

About 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine

1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine (PubChem CID 107749133) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine
PubChem CID107749133
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine
SMILESCC(C)CCSC(c1ccccn1)C(C)N
InChIInChI=1S/C13H22N2S/c1-10(2)7-9-16-13(11(3)14)12-6-4-5-8-15-12/h4-6,8,10-11,13H,7,9,14H2,1-3H3
InChIKeyKCTQURUWBGHIPR-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine
CID 107748726
methyl 2-[1-[(2-amino-1-pyridin-2-ylpropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777330
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
3-(1-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 71320210
2-pyridin-2-ylpropan-1-amine
CID 21481533
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
2-pyridin-2-ylnonan-3-amine
CID 114753071

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine (CID 107749133) is 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine is CC(C)CCSC(c1ccccn1)C(C)N.
What is the InChIKey of 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is KCTQURUWBGHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(2)7-9-16-13(11(3)14)12-6-4-5-8-15-12/h4-6,8,10-11,13H,7,9,14H2,1-3H3.
What are the key properties of 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine?
1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 107749133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).