2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine

C10H18N2S — CID 81079572

IUPAC2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine
SMILESCC(CN)CCNCc1ccsc1
InChIInChI=1S/C10H18N2S/c1-9(6-11)2-4-12-7-10-3-5-13-8-10/h3,5,8-9,12H,2,4,6-7,11H2,1H3
InChIKeyYPWZIQPOCXEICV-UHFFFAOYSA-N
MW198.34 g/mol
LogP1.82
Rot. Bonds6

About 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine

2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine (PubChem CID 81079572) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine
PubChem CID81079572
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC Name2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine
SMILESCC(CN)CCNCc1ccsc1
InChIInChI=1S/C10H18N2S/c1-9(6-11)2-4-12-7-10-3-5-13-8-10/h3,5,8-9,12H,2,4,6-7,11H2,1H3
InChIKeyYPWZIQPOCXEICV-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
N'-[(4-butan-2-ylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203171
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
1-[(thiophen-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65460029
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 107320001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine (CID 81079572) is 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine is CC(CN)CCNCc1ccsc1.
What is the InChIKey of 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine?
The InChIKey is YPWZIQPOCXEICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9(6-11)2-4-12-7-10-3-5-13-8-10/h3,5,8-9,12H,2,4,6-7,11H2,1H3.
What are the key properties of 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine?
2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine has a molecular weight of 198.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 81079572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).