N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide

C14H24N2OS — CID 79652321

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
SMILESCN(CC(C)(C)CN)C(=O)CCCc1cccs1
InChIInChI=1S/C14H24N2OS/c1-14(2,10-15)11-16(3)13(17)8-4-6-12-7-5-9-18-12/h5,7,9H,4,6,8,10-11,15H2,1-3H3
InChIKeySXQXUAZTBPYFOI-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.51
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide (PubChem CID 79652321) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
PubChem CID79652321
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
SMILESCN(CC(C)(C)CN)C(=O)CCCc1cccs1
InChIInChI=1S/C14H24N2OS/c1-14(2,10-15)11-16(3)13(17)8-4-6-12-7-5-9-18-12/h5,7,9H,4,6,8,10-11,15H2,1-3H3
InChIKeySXQXUAZTBPYFOI-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119656857
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79652724
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-(3-amino-2,2-dimethylpropyl)-4-(1,3-benzothiazol-2-yl)-N-methylbutanamide
CID 119656653
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 79667491
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
CID 78854172
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid
CID 55123769

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide (CID 79652321) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide is CN(CC(C)(C)CN)C(=O)CCCc1cccs1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide?
The InChIKey is SXQXUAZTBPYFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(2,10-15)11-16(3)13(17)8-4-6-12-7-5-9-18-12/h5,7,9H,4,6,8,10-11,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide has a molecular weight of 268.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 79652321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).