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

C10H18N2S — CID 4720499

IUPACN',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccsc1CNCCN(C)C
InChIInChI=1S/C10H18N2S/c1-9-4-7-13-10(9)8-11-5-6-12(2)3/h4,7,11H,5-6,8H2,1-3H3
InChIKeyHOQVIAASWUNQTM-UHFFFAOYSA-N
MW198.34 g/mol
LogP1.71
Rot. Bonds5

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

N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 4720499) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID4720499
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC NameN',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccsc1CNCCN(C)C
InChIInChI=1S/C10H18N2S/c1-9-4-7-13-10(9)8-11-5-6-12(2)3/h4,7,11H,5-6,8H2,1-3H3
InChIKeyHOQVIAASWUNQTM-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 4720499) is N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine is Cc1ccsc1CNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is HOQVIAASWUNQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9-4-7-13-10(9)8-11-5-6-12(2)3/h4,7,11H,5-6,8H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 198.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 4720499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).