3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine

C16H19N5O — CID 44541078

IUPAC3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1cc2ccccc2cc1OC)n1ncnn1
InChIInChI=1S/C16H19N5O/c1-17-8-7-15(21-19-11-18-20-21)14-9-12-5-3-4-6-13(12)10-16(14)22-2/h3-6,9-11,15,17H,7-8H2,1-2H3
InChIKeyKZYYPVRGGZZUOQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.03
Rot. Bonds6

About 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine

3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44541078) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44541078
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1cc2ccccc2cc1OC)n1ncnn1
InChIInChI=1S/C16H19N5O/c1-17-8-7-15(21-19-11-18-20-21)14-9-12-5-3-4-6-13(12)10-16(14)22-2/h3-6,9-11,15,17H,7-8H2,1-2H3
InChIKeyKZYYPVRGGZZUOQ-UHFFFAOYSA-N
XLogP2.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine (CID 44541078) is 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine is CNCCC(c1cc2ccccc2cc1OC)n1ncnn1.
What is the InChIKey of 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is KZYYPVRGGZZUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-17-8-7-15(21-19-11-18-20-21)14-9-12-5-3-4-6-13(12)10-16(14)22-2/h3-6,9-11,15,17H,7-8H2,1-2H3.
What are the key properties of 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44541078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).