9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H30N2 — CID 113466133

IUPAC9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC/C=C/CCN1C2CCCC1CC(NCCC)C2
InChIInChI=1S/C16H30N2/c1-3-5-6-11-18-15-8-7-9-16(18)13-14(12-15)17-10-4-2/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+
InChIKeyNLYXKQFRZIPNOZ-HWKANZROSA-N
MW250.43 g/mol
LogP3.34
Rot. Bonds6

About 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 113466133) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID113466133
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC/C=C/CCN1C2CCCC1CC(NCCC)C2
InChIInChI=1S/C16H30N2/c1-3-5-6-11-18-15-8-7-9-16(18)13-14(12-15)17-10-4-2/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+
InChIKeyNLYXKQFRZIPNOZ-HWKANZROSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712363
9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
8-[2-(3-methylbutoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740388
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738979
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 113466133) is 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is C/C=C/CCN1C2CCCC1CC(NCCC)C2.
What is the InChIKey of 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is NLYXKQFRZIPNOZ-HWKANZROSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-5-6-11-18-15-8-7-9-16(18)13-14(12-15)17-10-4-2/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+.
What are the key properties of 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 113466133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).