2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide

C14H28N2O2 — CID 113309032

IUPAC2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H28N2O2/c1-3-14(4-2,9-15)12(18)16-10-13(11-17)7-5-6-8-13/h17H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyKZCNPVJPLRGNBU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds7

About 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide

2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide (PubChem CID 113309032) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
PubChem CID113309032
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H28N2O2/c1-3-14(4-2,9-15)12(18)16-10-13(11-17)7-5-6-8-13/h17H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyKZCNPVJPLRGNBU-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
CID 103840339
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
2,2-diethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-4-oxobutanoic acid
CID 115358209
2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide
CID 64688429
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 114170262
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide
CID 115360372

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide (CID 113309032) is 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide is CCC(CC)(CN)C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide?
The InChIKey is KZCNPVJPLRGNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-14(4-2,9-15)12(18)16-10-13(11-17)7-5-6-8-13/h17H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide is sourced from PubChem (CID 113309032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).