4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide

C13H27N3O — CID 66426900

IUPAC4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide
SMILESCC(C)C1CCCN(C(CN)CC(N)=O)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)11-4-3-6-16(7-5-11)12(9-14)8-13(15)17/h10-12H,3-9,14H2,1-2H3,(H2,15,17)
InChIKeyQBVJLGOUEXTLOY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.95
Rot. Bonds5

About 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide

4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide (PubChem CID 66426900) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide
PubChem CID66426900
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide
SMILESCC(C)C1CCCN(C(CN)CC(N)=O)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)11-4-3-6-16(7-5-11)12(9-14)8-13(15)17/h10-12H,3-9,14H2,1-2H3,(H2,15,17)
InChIKeyQBVJLGOUEXTLOY-UHFFFAOYSA-N
XLogP0.95
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66431049
4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66429992
4-amino-N,N-dimethyl-3-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103494590
4-amino-3-(4-tert-butylpiperidin-1-yl)butanamide
CID 66426477
4-amino-3-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 66427753
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
CID 66428386
3-amino-4-oxo-4-(4-propan-2-ylazepan-1-yl)butanamide;hydrochloride
CID 119957428
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 66427333
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
CID 66427386
4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
CID 66428208
4-amino-3-(2-methylpiperidin-1-yl)butanamide
CID 66426676

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide?
The IUPAC name of 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide (CID 66426900) is 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide.
What is the SMILES notation for 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide?
The canonical SMILES for 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide is CC(C)C1CCCN(C(CN)CC(N)=O)CC1.
What is the InChIKey of 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide?
The InChIKey is QBVJLGOUEXTLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)11-4-3-6-16(7-5-11)12(9-14)8-13(15)17/h10-12H,3-9,14H2,1-2H3,(H2,15,17).
What are the key properties of 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide?
4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-propan-2-ylazepan-1-yl)butanamide is sourced from PubChem (CID 66426900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).