9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C18H27N3 — CID 63180563

IUPAC9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H27N3/c19-14-12-17-4-3-5-18(13-14)21(17)16-8-6-15(7-9-16)20-10-1-2-11-20/h6-9,14,17-18H,1-5,10-13,19H2
InChIKeyPXLGRKZVCNZGHG-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.14
Rot. Bonds2

About 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 63180563) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID63180563
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H27N3/c19-14-12-17-4-3-5-18(13-14)21(17)16-8-6-15(7-9-16)20-10-1-2-11-20/h6-9,14,17-18H,1-5,10-13,19H2
InChIKeyPXLGRKZVCNZGHG-UHFFFAOYSA-N
XLogP3.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
9-(3,5-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714139
9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713246
9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55119473
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712348
8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
CID 91623876
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile
CID 62712714
2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine
CID 59628067
cyclohexanamine;4-piperidin-1-ylbenzonitrile
CID 144513309
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
8-(4-chloro-3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740562

Frequently Asked Questions

What is the IUPAC name of 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 63180563) is 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2c1ccc(N2CCCC2)cc1.
What is the InChIKey of 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is PXLGRKZVCNZGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c19-14-12-17-4-3-5-18(13-14)21(17)16-8-6-15(7-9-16)20-10-1-2-11-20/h6-9,14,17-18H,1-5,10-13,19H2.
What are the key properties of 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 285.44 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-pyrrolidin-1-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 63180563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).