2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide

C13H23N3S — CID 65259252

IUPAC2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)Cc1cccs1
InChIInChI=1S/C13H23N3S/c1-13(2,12(14)15)7-5-8-16(3)10-11-6-4-9-17-11/h4,6,9H,5,7-8,10H2,1-3H3,(H3,14,15)
InChIKeyGBDPKPAHADFZJP-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.92
Rot. Bonds7

About 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide

2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide (PubChem CID 65259252) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide
PubChem CID65259252
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)Cc1cccs1
InChIInChI=1S/C13H23N3S/c1-13(2,12(14)15)7-5-8-16(3)10-11-6-4-9-17-11/h4,6,9H,5,7-8,10H2,1-3H3,(H3,14,15)
InChIKeyGBDPKPAHADFZJP-UHFFFAOYSA-N
XLogP2.92
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.92
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

2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254843
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
CID 79476605
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide
CID 65258136
5-(N-butylanilino)-2,2-dimethylpentanimidamide
CID 65258340
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
CID 79493840
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62210978
2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide (CID 65259252) is 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(C)Cc1cccs1.
What is the InChIKey of 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide?
The InChIKey is GBDPKPAHADFZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(2,12(14)15)7-5-8-16(3)10-11-6-4-9-17-11/h4,6,9H,5,7-8,10H2,1-3H3,(H3,14,15).
What are the key properties of 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide?
2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide has a molecular weight of 253.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 65259252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).