4-(butylsulfanylmethyl)-N-propylpyridin-2-amine

C13H22N2S — CID 62469459

IUPAC4-(butylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCCSCc1ccnc(NCCC)c1
InChIInChI=1S/C13H22N2S/c1-3-5-9-16-11-12-6-8-15-13(10-12)14-7-4-2/h6,8,10H,3-5,7,9,11H2,1-2H3,(H,14,15)
InChIKeyAMQWPXPCASNLSQ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.94
Rot. Bonds8

About 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine

4-(butylsulfanylmethyl)-N-propylpyridin-2-amine (PubChem CID 62469459) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(butylsulfanylmethyl)-N-propylpyridin-2-amine
PubChem CID62469459
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-(butylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCCSCc1ccnc(NCCC)c1
InChIInChI=1S/C13H22N2S/c1-3-5-9-16-11-12-6-8-15-13(10-12)14-7-4-2/h6,8,10H,3-5,7,9,11H2,1-2H3,(H,14,15)
InChIKeyAMQWPXPCASNLSQ-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.94
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-(butylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 62469460
5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine
CID 107756485
4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55192891
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62991783
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
2-(butylsulfanylmethyl)-N-ethylpyridin-4-amine
CID 79260438
4-(ethylsulfanylmethyl)-N-methylpyridin-2-amine
CID 62466942
4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 107756412
3-[[4-(propylamino)-2-pyridinyl]methylsulfanyl]propan-1-ol
CID 79260360
5-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63857257
4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine (CID 62469459) is 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine is CCCCSCc1ccnc(NCCC)c1.
What is the InChIKey of 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine?
The InChIKey is AMQWPXPCASNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-5-9-16-11-12-6-8-15-13(10-12)14-7-4-2/h6,8,10H,3-5,7,9,11H2,1-2H3,(H,14,15).
What are the key properties of 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine?
4-(butylsulfanylmethyl)-N-propylpyridin-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfanylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 62469459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).