N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine

C16H24N2 — CID 105364541

IUPACN-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCC(NC1CCN2CCC1C2)c1ccccc1
InChIInChI=1S/C16H24N2/c1-2-15(13-6-4-3-5-7-13)17-16-9-11-18-10-8-14(16)12-18/h3-7,14-17H,2,8-12H2,1H3
InChIKeyHCEUAHCTXOQBIS-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.82
Rot. Bonds4

About N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364541) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364541
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCC(NC1CCN2CCC1C2)c1ccccc1
InChIInChI=1S/C16H24N2/c1-2-15(13-6-4-3-5-7-13)17-16-9-11-18-10-8-14(16)12-18/h3-7,14-17H,2,8-12H2,1H3
InChIKeyHCEUAHCTXOQBIS-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylbutyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195150
N-[1-(3-bromophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763522
N-[1-(1,3-thiazol-2-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364633
cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
CID 71927637
N-[1-(3,4-dichlorophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763489
2-cyclopropyl-N-(1-phenylpropyl)oxolan-3-amine
CID 113349312
(3R)-N-[(1S)-1-(4-methoxyphenyl)-2-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 944947
N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745
N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364480
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364541) is N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine is CCC(NC1CCN2CCC1C2)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is HCEUAHCTXOQBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-15(13-6-4-3-5-7-13)17-16-9-11-18-10-8-14(16)12-18/h3-7,14-17H,2,8-12H2,1H3.
What are the key properties of N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 244.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).