2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride

C13H21ClN2OS — CID 119807077

IUPAC2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
SMILESCN(CCc1cccs1)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-15(7-6-12-3-2-8-17-12)13(16)10-14-9-11-4-5-11;/h2-3,8,11,14H,4-7,9-10H2,1H3;1H
InChIKeyVFLYGOYOGMFDGQ-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.17
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride (PubChem CID 119807077) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
PubChem CID119807077
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
SMILESCN(CCc1cccs1)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-15(7-6-12-3-2-8-17-12)13(16)10-14-9-11-4-5-11;/h2-3,8,11,14H,4-7,9-10H2,1H3;1H
InChIKeyVFLYGOYOGMFDGQ-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119689999
N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 79493806
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518
(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
CID 82962492
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 54873442

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride (CID 119807077) is 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride is CN(CCc1cccs1)C(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride?
The InChIKey is VFLYGOYOGMFDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-15(7-6-12-3-2-8-17-12)13(16)10-14-9-11-4-5-11;/h2-3,8,11,14H,4-7,9-10H2,1H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119807077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).