N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H31N3O — CID 62712744

IUPACN-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCCN1CCOCC1
InChIInChI=1S/C16H31N3O/c1-17-14-12-15-4-2-5-16(13-14)19(15)7-3-6-18-8-10-20-11-9-18/h14-17H,2-13H2,1H3
InChIKeyKWNITOLGSBFNQC-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.31
Rot. Bonds5

About N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712744) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712744
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCCN1CCOCC1
InChIInChI=1S/C16H31N3O/c1-17-14-12-15-4-2-5-16(13-14)19(15)7-3-6-18-8-10-20-11-9-18/h14-17H,2-13H2,1H3
InChIKeyKWNITOLGSBFNQC-UHFFFAOYSA-N
XLogP1.31
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 113328114
5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
CID 106239200
N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114173962
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114619140
4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine
CID 80669048
2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
CID 106239219
4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride
CID 131882343
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
cis-(1S,3R)-3-methyl-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
CID 30980577

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712744) is N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CCCN1CCOCC1.
What is the InChIKey of N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is KWNITOLGSBFNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-17-14-12-15-4-2-5-16(13-14)19(15)7-3-6-18-8-10-20-11-9-18/h14-17H,2-13H2,1H3.
What are the key properties of N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 281.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).