(3R)-3-[(1R)-1-aminopropyl]azepan-2-one

C9H18N2O — CID 7047455

IUPAC(3R)-3-[(1R)-1-aminopropyl]azepan-2-one
SMILESCC[C@@H](N)[C@H]1CCCCNC1=O
InChIInChI=1S/C9H18N2O/c1-2-8(10)7-5-3-4-6-11-9(7)12/h7-8H,2-6,10H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyCNVMPJJEJBSDPB-HTQZYQBOSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds2

About (3R)-3-[(1R)-1-aminopropyl]azepan-2-one

(3R)-3-[(1R)-1-aminopropyl]azepan-2-one (PubChem CID 7047455) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R)-3-[(1R)-1-aminopropyl]azepan-2-one.

Molecular Properties

Compound Name(3R)-3-[(1R)-1-aminopropyl]azepan-2-one
PubChem CID7047455
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R)-3-[(1R)-1-aminopropyl]azepan-2-one
SMILESCC[C@@H](N)[C@H]1CCCCNC1=O
InChIInChI=1S/C9H18N2O/c1-2-8(10)7-5-3-4-6-11-9(7)12/h7-8H,2-6,10H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyCNVMPJJEJBSDPB-HTQZYQBOSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium
CID 7047454
3-(1-aminoethyl)azepan-2-one
CID 2837704
3-(1-aminoethyl)azocan-2-one
CID 23959350
(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one
CID 68800299
3-pentan-2-ylpiperidin-2-one
CID 107889853
3-but-3-en-2-ylazepan-2-one
CID 104679572
3-(1-amino-3-methylbutan-2-yl)piperidin-2-one
CID 83876452
ethane;3-methylazepan-2-one;propane
CID 142177771
3-(2-aminopropoxy)azepan-2-one
CID 164664183
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
3-(2-ethylbutylamino)azepan-2-one
CID 43688006
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1R)-1-aminopropyl]azepan-2-one?
The IUPAC name of (3R)-3-[(1R)-1-aminopropyl]azepan-2-one (CID 7047455) is (3R)-3-[(1R)-1-aminopropyl]azepan-2-one.
What is the SMILES notation for (3R)-3-[(1R)-1-aminopropyl]azepan-2-one?
The canonical SMILES for (3R)-3-[(1R)-1-aminopropyl]azepan-2-one is CC[C@@H](N)[C@H]1CCCCNC1=O.
What is the InChIKey of (3R)-3-[(1R)-1-aminopropyl]azepan-2-one?
The InChIKey is CNVMPJJEJBSDPB-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-8(10)7-5-3-4-6-11-9(7)12/h7-8H,2-6,10H2,1H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (3R)-3-[(1R)-1-aminopropyl]azepan-2-one?
(3R)-3-[(1R)-1-aminopropyl]azepan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1R)-1-aminopropyl]azepan-2-one is sourced from PubChem (CID 7047455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).