N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine

C15H23N3S — CID 143485029

IUPACN'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCNC(=C)SC)Cc1ccc(C)nc1
InChIInChI=1S/C15H23N3S/c1-5-9-18(10-8-16-14(3)19-4)12-15-7-6-13(2)17-11-15/h5-7,11,16H,1,3,8-10,12H2,2,4H3
InChIKeyLLWGEBQEJWTHNQ-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.80
Rot. Bonds9

About N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine

N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine (PubChem CID 143485029) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine
PubChem CID143485029
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCNC(=C)SC)Cc1ccc(C)nc1
InChIInChI=1S/C15H23N3S/c1-5-9-18(10-8-16-14(3)19-4)12-15-7-6-13(2)17-11-15/h5-7,11,16H,1,3,8-10,12H2,2,4H3
InChIKeyLLWGEBQEJWTHNQ-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine with MolForge

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Related Compounds

N'-[(6-chloro-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine
CID 143485026
4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide
CID 134406200
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine
CID 143515436
2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 87039150
N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 138519013
N'-[(6-chloro-3-pyridinyl)methyl]-N'-ethyl-N-(1-methylsulfanyl-2-nitroethenyl)ethane-1,2-diamine
CID 72727593
2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol
CID 115883207
N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
CID 144634917
[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
CID 83794067
4-[(4-methylphenyl)methyl-prop-2-enylamino]butanoic acid
CID 134701133
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
4-[benzyl(prop-2-enyl)amino]-2-methylidenebutanenitrile
CID 10799280

Frequently Asked Questions

What is the IUPAC name of N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine (CID 143485029) is N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine is C=CCN(CCNC(=C)SC)Cc1ccc(C)nc1.
What is the InChIKey of N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine?
The InChIKey is LLWGEBQEJWTHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-9-18(10-8-16-14(3)19-4)12-15-7-6-13(2)17-11-15/h5-7,11,16H,1,3,8-10,12H2,2,4H3.
What are the key properties of N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine?
N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine has a molecular weight of 277.44 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 143485029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).