1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine

C11H18N2S — CID 104736345

IUPAC1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
SMILESCC(C)SCC(N)Cc1cccnc1
InChIInChI=1S/C11H18N2S/c1-9(2)14-8-11(12)6-10-4-3-5-13-7-10/h3-5,7,9,11H,6,8,12H2,1-2H3
InChIKeyHLTKDBZZYCLHEZ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.09
Rot. Bonds5

About 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine

1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 104736345) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
PubChem CID104736345
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
SMILESCC(C)SCC(N)Cc1cccnc1
InChIInChI=1S/C11H18N2S/c1-9(2)14-8-11(12)6-10-4-3-5-13-7-10/h3-5,7,9,11H,6,8,12H2,1-2H3
InChIKeyHLTKDBZZYCLHEZ-UHFFFAOYSA-N
XLogP2.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
platinum(2+);propan-2-amine;pyridin-3-ylmethanol;dichloride
CID 11964438
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-one
CID 104735960
3-(2,2-dimethoxyethyl)pyridine
CID 118705230

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine (CID 104736345) is 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine is CC(C)SCC(N)Cc1cccnc1.
What is the InChIKey of 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is HLTKDBZZYCLHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(2)14-8-11(12)6-10-4-3-5-13-7-10/h3-5,7,9,11H,6,8,12H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine?
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 104736345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).