2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide

C14H24N2OS — CID 65228797

IUPAC2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)C(CN)C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C14H24N2OS/c1-10(2)13(8-15)14(17)16(11(3)4)9-12-6-5-7-18-12/h5-7,10-11,13H,8-9,15H2,1-4H3
InChIKeyJRETWMRBVRVIOP-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.72
Rot. Bonds6

About 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide

2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 65228797) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID65228797
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)C(CN)C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C14H24N2OS/c1-10(2)13(8-15)14(17)16(11(3)4)9-12-6-5-7-18-12/h5-7,10-11,13H,8-9,15H2,1-4H3
InChIKeyJRETWMRBVRVIOP-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
2-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pentanamide
CID 54946833
2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835236
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide (CID 65228797) is 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide is CC(C)C(CN)C(=O)N(Cc1cccs1)C(C)C.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is JRETWMRBVRVIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)13(8-15)14(17)16(11(3)4)9-12-6-5-7-18-12/h5-7,10-11,13H,8-9,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide?
2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 268.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 65228797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).