2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide

C13H26N2O — CID 64688429

IUPAC2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide
SMILESCCC(CC)(CN)C(=O)NC1(C)CCCC1
InChIInChI=1S/C13H26N2O/c1-4-13(5-2,10-14)11(16)15-12(3)8-6-7-9-12/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyKXCVCBCTJFBUTD-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide

2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide (PubChem CID 64688429) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide
PubChem CID64688429
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide
SMILESCCC(CC)(CN)C(=O)NC1(C)CCCC1
InChIInChI=1S/C13H26N2O/c1-4-13(5-2,10-14)11(16)15-12(3)8-6-7-9-12/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyKXCVCBCTJFBUTD-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
3-amino-2,2-difluoro-N-(1-methylcyclopropyl)propanamide
CID 130600886
2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
CID 103840339
2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 114170262
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103966042
2-methyl-2-(methylamino)-N-(1-methylcyclohexyl)propanamide
CID 62848204
2-(aminomethyl)-4,4-dimethyl-N-(1-methylcyclopentyl)pentanamide
CID 107471899
2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
2-cyano-2-methyl-N-(1-methylcyclopentyl)propanamide
CID 64687039
N-(1-methylcyclobutyl)propanamide
CID 115766065
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide (CID 64688429) is 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide is CCC(CC)(CN)C(=O)NC1(C)CCCC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide?
The InChIKey is KXCVCBCTJFBUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(5-2,10-14)11(16)15-12(3)8-6-7-9-12/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide is sourced from PubChem (CID 64688429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).