2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide

C13H22N2OS — CID 65227703

IUPAC2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide
SMILESCCCC(CN)C(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-6-11(9-14)13(16)15(3)10(2)12-7-5-8-17-12/h5,7-8,10-11H,4,6,9,14H2,1-3H3
InChIKeyVPIIZGSQQSLOMS-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.64
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide

2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide (PubChem CID 65227703) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide
PubChem CID65227703
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide
SMILESCCCC(CN)C(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-6-11(9-14)13(16)15(3)10(2)12-7-5-8-17-12/h5,7-8,10-11H,4,6,9,14H2,1-3H3
InChIKeyVPIIZGSQQSLOMS-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
2-(aminomethyl)-N-methyl-N-(1-phenylethyl)pentanamide
CID 65230078
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494668
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
2-(ethylamino)-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62834566
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 65227260
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide (CID 65227703) is 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide is CCCC(CN)C(=O)N(C)C(C)c1cccs1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide?
The InChIKey is VPIIZGSQQSLOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-6-11(9-14)13(16)15(3)10(2)12-7-5-8-17-12/h5,7-8,10-11H,4,6,9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide?
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide has a molecular weight of 254.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide is sourced from PubChem (CID 65227703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).