2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide

C16H25N3O — CID 114478704

IUPAC2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide
SMILESCc1cc(CN)ccc1CN(CC(N)=O)C1CCCC1
InChIInChI=1S/C16H25N3O/c1-12-8-13(9-17)6-7-14(12)10-19(11-16(18)20)15-4-2-3-5-15/h6-8,15H,2-5,9-11,17H2,1H3,(H2,18,20)
InChIKeyTXBYGIJAGFZBOD-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.68
Rot. Bonds6

About 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide

2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide (PubChem CID 114478704) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide
PubChem CID114478704
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide
SMILESCc1cc(CN)ccc1CN(CC(N)=O)C1CCCC1
InChIInChI=1S/C16H25N3O/c1-12-8-13(9-17)6-7-14(12)10-19(11-16(18)20)15-4-2-3-5-15/h6-8,15H,2-5,9-11,17H2,1H3,(H2,18,20)
InChIKeyTXBYGIJAGFZBOD-UHFFFAOYSA-N
XLogP1.68
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3156713
N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide
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CID 5136453
N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6465707
N-[1-(3,4-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6469972
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9363380
N-(1-phenylethyl)-2-(pyrrolidin-1-yl)acetamide
CID 17379650
N-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide (CID 114478704) is 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide is Cc1cc(CN)ccc1CN(CC(N)=O)C1CCCC1.
What is the InChIKey of 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide?
The InChIKey is TXBYGIJAGFZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-8-13(9-17)6-7-14(12)10-19(11-16(18)20)15-4-2-3-5-15/h6-8,15H,2-5,9-11,17H2,1H3,(H2,18,20).
What are the key properties of 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide?
2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide is sourced from PubChem (CID 114478704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).