N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine

C15H21N5 — CID 103085142

IUPACN-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1-c1cccc2c1CCCC2
InChIInChI=1S/C15H21N5/c1-3-16-11(2)15-17-18-19-20(15)14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10-11,16H,3-5,7,9H2,1-2H3
InChIKeySFIMVLAWPHUUCY-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.21
Rot. Bonds4

About N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine

N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine (PubChem CID 103085142) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine
PubChem CID103085142
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1-c1cccc2c1CCCC2
InChIInChI=1S/C15H21N5/c1-3-16-11(2)15-17-18-19-20(15)14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10-11,16H,3-5,7,9H2,1-2H3
InChIKeySFIMVLAWPHUUCY-UHFFFAOYSA-N
XLogP2.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine (CID 103085142) is N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1-c1cccc2c1CCCC2.
What is the InChIKey of N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine?
The InChIKey is SFIMVLAWPHUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-16-11(2)15-17-18-19-20(15)14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10-11,16H,3-5,7,9H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine has a molecular weight of 271.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).