9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine

C18H24N2 — CID 65472387

IUPAC9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCC#Cc1ccccc1)C2
InChIInChI=1S/C18H24N2/c1-20-17-10-5-11-18(20)14-16(13-17)19-12-6-9-15-7-3-2-4-8-15/h2-4,7-8,16-19H,5,10-14H2,1H3
InChIKeyPIVWBLIEVMWSEB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.64
Rot. Bonds2

About 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472387) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472387
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCC#Cc1ccccc1)C2
InChIInChI=1S/C18H24N2/c1-20-17-10-5-11-18(20)14-16(13-17)19-12-6-9-15-7-3-2-4-8-15/h2-4,7-8,16-19H,5,10-14H2,1H3
InChIKeyPIVWBLIEVMWSEB-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-phenylprop-2-ynyl)cyclohexan-1-amine
CID 62340350
N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 116789143
9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 115328351
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
N-[(2-ethoxyphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472919
9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104807094
2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
CID 62340040
1-cyclohexyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55069022
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
CID 65470865
2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
CID 62341051
N-(3-phenylprop-2-ynyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55060471

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472387) is 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(NCC#Cc1ccccc1)C2.
What is the InChIKey of 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is PIVWBLIEVMWSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-20-17-10-5-11-18(20)14-16(13-17)19-12-6-9-15-7-3-2-4-8-15/h2-4,7-8,16-19H,5,10-14H2,1H3.
What are the key properties of 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 268.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(3-phenylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).