2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide

C13H22N2OS — CID 65225067

IUPAC2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
SMILESCCC(CN)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-4-10(8-14)13(16)15-12(9(2)3)11-6-5-7-17-11/h5-7,9-10,12H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyPZAHQQCVXQXYSU-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.55
Rot. Bonds6

About 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide

2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide (PubChem CID 65225067) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
PubChem CID65225067
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
SMILESCCC(CN)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-4-10(8-14)13(16)15-12(9(2)3)11-6-5-7-17-11/h5-7,9-10,12H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyPZAHQQCVXQXYSU-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
CID 107471377
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide
CID 65290946
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
CID 62900414
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide (CID 65225067) is 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide is CCC(CN)C(=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The InChIKey is PZAHQQCVXQXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-10(8-14)13(16)15-12(9(2)3)11-6-5-7-17-11/h5-7,9-10,12H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide is sourced from PubChem (CID 65225067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).