N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine

C13H24N2OS — CID 62553697

IUPACN'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCOCC(C)N(C)CCNCc1sccc1C
InChIInChI=1S/C13H24N2OS/c1-11-5-8-17-13(11)9-14-6-7-15(3)12(2)10-16-4/h5,8,12,14H,6-7,9-10H2,1-4H3
InChIKeyLZHWWUIIVKRDOW-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.11
Rot. Bonds8

About N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine

N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 62553697) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID62553697
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCOCC(C)N(C)CCNCc1sccc1C
InChIInChI=1S/C13H24N2OS/c1-11-5-8-17-13(11)9-14-6-7-15(3)12(2)10-16-4/h5,8,12,14H,6-7,9-10H2,1-4H3
InChIKeyLZHWWUIIVKRDOW-UHFFFAOYSA-N
XLogP2.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N'-methyl-N'-(3-methylbutan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62561387
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 62561180
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
N'-methyl-N'-(3-methylbutyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62556353
N-[(3-methylthiophen-2-yl)methyl]-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089742
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 82943480
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentylethane-1,2-diamine
CID 62561880
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124
1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea
CID 115579102
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107668633
3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]butan-1-amine
CID 115604366

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 62553697) is N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine is COCC(C)N(C)CCNCc1sccc1C.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is LZHWWUIIVKRDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11-5-8-17-13(11)9-14-6-7-15(3)12(2)10-16-4/h5,8,12,14H,6-7,9-10H2,1-4H3.
What are the key properties of N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 256.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62553697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).