N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H26N2 — CID 61231305

IUPACN-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H26N2/c1-2-10-19(13-14-6-4-3-5-7-14)17-11-15-8-9-16(12-17)18-15/h3-7,15-18H,2,8-13H2,1H3
InChIKeySCBRCTNYTQVSAN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.18
Rot. Bonds5

About N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231305) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231305
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H26N2/c1-2-10-19(13-14-6-4-3-5-7-14)17-11-15-8-9-16(12-17)18-15/h3-7,15-18H,2,8-13H2,1H3
InChIKeySCBRCTNYTQVSAN-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
N-[(3-bromophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231881
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105404880
N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113226559
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233061
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol
CID 61231963
N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232143
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61231305) is N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1ccccc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SCBRCTNYTQVSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-10-19(13-14-6-4-3-5-7-14)17-11-15-8-9-16(12-17)18-15/h3-7,15-18H,2,8-13H2,1H3.
What are the key properties of N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).