(18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one

C23H45N3O — CID 6452858

IUPAC(18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
SMILESNCCCN1CCCCN2CCCC[C@H]2CCCCCCCCCCC1=O
InChIInChI=1S/C23H45N3O/c24-17-13-21-26-20-12-11-19-25-18-10-9-15-22(25)14-7-5-3-1-2-4-6-8-16-23(26)27/h22H,1-21,24H2/t22-/m1/s1
InChIKeyHDBGIAZFRILRHP-JOCHJYFZSA-N
MW379.63 g/mol
LogP4.71
Rot. Bonds3

About (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one

(18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one (PubChem CID 6452858) has the molecular formula C23H45N3O and a molecular weight of 379.63 g/mol. Its IUPAC name is (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one.

Molecular Properties

Compound Name(18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
PubChem CID6452858
Molecular FormulaC23H45N3O
Molecular Weight379.63 g/mol
Exact Mass379.36
IUPAC Name(18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
SMILESNCCCN1CCCCN2CCCC[C@H]2CCCCCCCCCCC1=O
InChIInChI=1S/C23H45N3O/c24-17-13-21-26-20-12-11-19-25-18-10-9-15-22(25)14-7-5-3-1-2-4-6-8-16-23(26)27/h22H,1-21,24H2/t22-/m1/s1
InChIKeyHDBGIAZFRILRHP-JOCHJYFZSA-N
XLogP4.71
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lauramidopropyl Dimethylamine
CID 51392
Stearamidopropyl Dimethylamine
CID 62109
Myristamidopropyl Dimethylamine
CID 170759
Budmunchiamine L4
CID 5315523
Palmitamidopropyl Dimethylamine
CID 38313
Behenic acid dimethylaminopropylamide
CID 108912
Budmunchiamine A
CID 373662
Palmitamidopropyltrimonium chloride
CID 171016
Capramidopropyl dimethylamine
CID 89890
Hexadecanoic Acid Isopropylamide
CID 5063962
Trimethyl-[3-(octadecanoylamino)propyl]azanium iodide
CID 21800003
Trimethyl-[3-(tetradecanoylamino)propyl]azanium iodide
CID 72196403

Frequently Asked Questions

What is the IUPAC name of (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one?
The IUPAC name of (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one (CID 6452858) is (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one.
What is the SMILES notation for (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one?
The canonical SMILES for (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one is NCCCN1CCCCN2CCCC[C@H]2CCCCCCCCCCC1=O.
What is the InChIKey of (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one?
The InChIKey is HDBGIAZFRILRHP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H45N3O/c24-17-13-21-26-20-12-11-19-25-18-10-9-15-22(25)14-7-5-3-1-2-4-6-8-16-23(26)27/h22H,1-21,24H2/t22-/m1/s1.
What are the key properties of (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one?
(18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one has a molecular weight of 379.63 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one is sourced from PubChem (CID 6452858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).