N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine

C14H26N2S — CID 62561180

IUPACN'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(C)CCNCc1sccc1C
InChIInChI=1S/C14H26N2S/c1-5-13(6-2)16(4)9-8-15-11-14-12(3)7-10-17-14/h7,10,13,15H,5-6,8-9,11H2,1-4H3
InChIKeyUGCNFOOTTWGDKS-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.27
Rot. Bonds8

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

N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 62561180) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
PubChem CID62561180
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(C)CCNCc1sccc1C
InChIInChI=1S/C14H26N2S/c1-5-13(6-2)16(4)9-8-15-11-14-12(3)7-10-17-14/h7,10,13,15H,5-6,8-9,11H2,1-4H3
InChIKeyUGCNFOOTTWGDKS-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.27
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

N'-methyl-N'-(3-methylbutan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62561387
N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62553697
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
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentylethane-1,2-diamine
CID 62561880
N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 82943480
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 62561559
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine
CID 62579245
3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]butan-1-amine
CID 115604366
1,1-dimethyl-2-[(3-methylthiophen-2-yl)methyl]hydrazine
CID 83003822

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine (CID 62561180) is N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(C)CCNCc1sccc1C.
What is the InChIKey of N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is UGCNFOOTTWGDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-13(6-2)16(4)9-8-15-11-14-12(3)7-10-17-14/h7,10,13,15H,5-6,8-9,11H2,1-4H3.
What are the key properties of N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine?
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 62561180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).