N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine

C14H18N6 — CID 43121645

IUPACN-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1cc(-n2cnnn2)ccc1NC1CN2CCC1CC2
InChIInChI=1S/C14H18N6/c1-3-13(20-10-15-17-18-20)4-2-12(1)16-14-9-19-7-5-11(14)6-8-19/h1-4,10-11,14,16H,5-9H2
InChIKeyUGWSBBOJQCXYMW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.17
Rot. Bonds3

About N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43121645) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43121645
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1cc(-n2cnnn2)ccc1NC1CN2CCC1CC2
InChIInChI=1S/C14H18N6/c1-3-13(20-10-15-17-18-20)4-2-12(1)16-14-9-19-7-5-11(14)6-8-19/h1-4,10-11,14,16H,5-9H2
InChIKeyUGWSBBOJQCXYMW-UHFFFAOYSA-N
XLogP1.17
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43732240
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364049
(3R)-N-(4-iodophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28975416
3-N-[4-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79462927
1-propyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-4-amine
CID 28621696
[4-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]urea
CID 43745037
N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635
N-(3-methoxycyclobutyl)-4-(tetrazol-1-yl)aniline
CID 104869019
N-[3-(1,2,4-triazol-4-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43692043
1,1-dioxo-N-[4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 63910839
N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 11254890
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43673429

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 43121645) is N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine is c1cc(-n2cnnn2)ccc1NC1CN2CCC1CC2.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is UGWSBBOJQCXYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-3-13(20-10-15-17-18-20)4-2-12(1)16-14-9-19-7-5-11(14)6-8-19/h1-4,10-11,14,16H,5-9H2.
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 270.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43121645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).