9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C17H26N2 — CID 62713140

IUPAC9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCc1ccccc1N1C2CCCC1CC(N)C2
InChIInChI=1S/C17H26N2/c1-2-6-13-7-3-4-10-17(13)19-15-8-5-9-16(19)12-14(18)11-15/h3-4,7,10,14-16H,2,5-6,8-9,11-12,18H2,1H3
InChIKeyYCASVQJLZAXBLW-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.49
Rot. Bonds3

About 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713140) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713140
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCc1ccccc1N1C2CCCC1CC(N)C2
InChIInChI=1S/C17H26N2/c1-2-6-13-7-3-4-10-17(13)19-15-8-5-9-16(19)12-14(18)11-15/h3-4,7,10,14-16H,2,5-6,8-9,11-12,18H2,1H3
InChIKeyYCASVQJLZAXBLW-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 106760805
9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 102908215
3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine
CID 137467583
8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739466
3-ethyl-2-(2-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79917902
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 107639345
8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740684
9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713967
8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713932
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841

Frequently Asked Questions

What is the IUPAC name of 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713140) is 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCCc1ccccc1N1C2CCCC1CC(N)C2.
What is the InChIKey of 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is YCASVQJLZAXBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-6-13-7-3-4-10-17(13)19-15-8-5-9-16(19)12-14(18)11-15/h3-4,7,10,14-16H,2,5-6,8-9,11-12,18H2,1H3.
What are the key properties of 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).