4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide

C12H21N3S — CID 79476012

IUPAC4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)C(C)Cc1cccs1
InChIInChI=1S/C12H21N3S/c1-10(9-11-5-4-8-16-11)15(2)7-3-6-12(13)14/h4-5,8,10H,3,6-7,9H2,1-2H3,(H3,13,14)
InChIKeyGVNCVAFMJHAITC-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.33
Rot. Bonds7

About 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide (PubChem CID 79476012) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
PubChem CID79476012
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)C(C)Cc1cccs1
InChIInChI=1S/C12H21N3S/c1-10(9-11-5-4-8-16-11)15(2)7-3-6-12(13)14/h4-5,8,10H,3,6-7,9H2,1-2H3,(H3,13,14)
InChIKeyGVNCVAFMJHAITC-UHFFFAOYSA-N
XLogP2.33
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
CID 79493840
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]piperidin-4-ol
CID 79476515

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide?
The IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide (CID 79476012) is 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide is [H]/N=C(\N)CCCN(C)C(C)Cc1cccs1.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide?
The InChIKey is GVNCVAFMJHAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(9-11-5-4-8-16-11)15(2)7-3-6-12(13)14/h4-5,8,10H,3,6-7,9H2,1-2H3,(H3,13,14).
What are the key properties of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide?
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide has a molecular weight of 239.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide is sourced from PubChem (CID 79476012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).