N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C19H28N6 — CID 113226559

IUPACN-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1nnnn1Cc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C19H28N6/c1-2-10-24(18-11-16-8-9-17(12-18)20-16)14-19-21-22-23-25(19)13-15-6-4-3-5-7-15/h3-7,16-18,20H,2,8-14H2,1H3
InChIKeyKQYJGLLGKGTPTC-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.22
Rot. Bonds7

About N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 113226559) has the molecular formula C19H28N6 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID113226559
Molecular FormulaC19H28N6
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC NameN-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1nnnn1Cc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C19H28N6/c1-2-10-24(18-11-16-8-9-17(12-18)20-16)14-19-21-22-23-25(19)13-15-6-4-3-5-7-15/h3-7,16-18,20H,2,8-14H2,1H3
InChIKeyKQYJGLLGKGTPTC-UHFFFAOYSA-N
XLogP2.22
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 113226559) is N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1nnnn1Cc1ccccc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KQYJGLLGKGTPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-2-10-24(18-11-16-8-9-17(12-18)20-16)14-19-21-22-23-25(19)13-15-6-4-3-5-7-15/h3-7,16-18,20H,2,8-14H2,1H3.
What are the key properties of N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 340.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltetrazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 113226559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).