3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine

C15H23N3 — CID 65471399

IUPAC3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
SMILESCN1C2CCCC1CC(Nc1cccc(N)c1)C2
InChIInChI=1S/C15H23N3/c1-18-14-6-3-7-15(18)10-13(9-14)17-12-5-2-4-11(16)8-12/h2,4-5,8,13-15,17H,3,6-7,9-10,16H2,1H3
InChIKeyRNYNPJMFNSJBSN-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.70
Rot. Bonds2

About 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine

3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine (PubChem CID 65471399) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
PubChem CID65471399
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
SMILESCN1C2CCCC1CC(Nc1cccc(N)c1)C2
InChIInChI=1S/C15H23N3/c1-18-14-6-3-7-15(18)10-13(9-14)17-12-5-2-4-11(16)8-12/h2,4-5,8,13-15,17H,3,6-7,9-10,16H2,1H3
InChIKeyRNYNPJMFNSJBSN-UHFFFAOYSA-N
XLogP2.70
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65472351
N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131809
4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65470253
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide
CID 65472151
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,2-diamine
CID 53302987
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-2,6-diamine
CID 79882848
3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
CID 104535034
8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43683977

Frequently Asked Questions

What is the IUPAC name of 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine (CID 65471399) is 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine is CN1C2CCCC1CC(Nc1cccc(N)c1)C2.
What is the InChIKey of 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine?
The InChIKey is RNYNPJMFNSJBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18-14-6-3-7-15(18)10-13(9-14)17-12-5-2-4-11(16)8-12/h2,4-5,8,13-15,17H,3,6-7,9-10,16H2,1H3.
What are the key properties of 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine?
3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 65471399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).