[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine

C10H16N2S — CID 63881301

IUPAC[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
SMILESCCCSCc1ccnc(CN)c1
InChIInChI=1S/C10H16N2S/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,7-8,11H2,1H3
InChIKeyKCDFHYAOUPLRAO-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.18
Rot. Bonds5

About [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine

[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine (PubChem CID 63881301) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
PubChem CID63881301
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
SMILESCCCSCc1ccnc(CN)c1
InChIInChI=1S/C10H16N2S/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,7-8,11H2,1H3
InChIKeyKCDFHYAOUPLRAO-UHFFFAOYSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(propylsulfanylmethyl)pyridine-2-carbonitrile
CID 63884249
[3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530073
[4-(propoxymethyl)-2-pyridinyl]methanamine
CID 63887669
(4-butylsulfanyl-2-pyridinyl)methanamine
CID 62925022
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63881700
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882087
4-(butylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 62469460
(2-propyl-4-pyridinyl)methanamine;dihydrochloride
CID 122163330
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
CID 63886675
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
CID 63887251
1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine
CID 170890841
4-(butylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62469459

Frequently Asked Questions

What is the IUPAC name of [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine (CID 63881301) is [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine is CCCSCc1ccnc(CN)c1.
What is the InChIKey of [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine?
The InChIKey is KCDFHYAOUPLRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,7-8,11H2,1H3.
What are the key properties of [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine?
[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine has a molecular weight of 196.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylsulfanylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 63881301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).