2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide

C13H25N3O2 — CID 112702833

IUPAC2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)C1CCCC1CN
InChIInChI=1S/C13H25N3O2/c1-9(2)7-15-12(17)8-16-13(18)11-5-3-4-10(11)6-14/h9-11H,3-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDUWAVWPYMZVWTP-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.25
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 112702833) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID112702833
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)C1CCCC1CN
InChIInChI=1S/C13H25N3O2/c1-9(2)7-15-12(17)8-16-13(18)11-5-3-4-10(11)6-14/h9-11H,3-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDUWAVWPYMZVWTP-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclopentane-1-carboxamide
CID 102906008
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 113269315
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
CID 80539395
4-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 81073388
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
2-(aminomethyl)-N-[2-(methylsulfamoyl)ethyl]cyclopentane-1-carboxamide
CID 114175192
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 103796173
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
2-amino-3-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 62776500
2-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopentane-1-carboxamide
CID 106148063
2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 112702833) is 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide is CC(C)CNC(=O)CNC(=O)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is DUWAVWPYMZVWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)7-15-12(17)8-16-13(18)11-5-3-4-10(11)6-14/h9-11H,3-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 112702833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).