4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide

C14H28N4O — CID 79175132

IUPAC4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
SMILESCCNC(=O)CC(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H28N4O/c1-3-16-14(19)8-13(9-15)18-7-6-11-4-5-12(10-18)17(11)2/h11-13H,3-10,15H2,1-2H3,(H,16,19)
InChIKeyPFSUSVAAFVYDDR-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.01
Rot. Bonds5

About 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide

4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide (PubChem CID 79175132) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
PubChem CID79175132
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
SMILESCCNC(=O)CC(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H28N4O/c1-3-16-14(19)8-13(9-15)18-7-6-11-4-5-12(10-18)17(11)2/h11-13H,3-10,15H2,1-2H3,(H,16,19)
InChIKeyPFSUSVAAFVYDDR-UHFFFAOYSA-N
XLogP0.01
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 66427812
4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
CID 66426952
tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
CID 66427386
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine
CID 79175307
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
4-amino-N,N-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 66432074
4-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-tert-butylbutanamide
CID 66431026
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-amino-N-ethylbutanamide
CID 66429077
4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
CID 66431436
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide?
The IUPAC name of 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide (CID 79175132) is 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide is CCNC(=O)CC(CN)N1CCC2CCC(C1)N2C.
What is the InChIKey of 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide?
The InChIKey is PFSUSVAAFVYDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-16-14(19)8-13(9-15)18-7-6-11-4-5-12(10-18)17(11)2/h11-13H,3-10,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide?
4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide has a molecular weight of 268.40 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide is sourced from PubChem (CID 79175132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).