N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine

C16H19N5 — CID 44540990

IUPACN-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine
SMILESCNCCC(c1ccc2ccccc2c1)n1nnc(C)n1
InChIInChI=1S/C16H19N5/c1-12-18-20-21(19-12)16(9-10-17-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17H,9-10H2,1-2H3
InChIKeyVSRNUBMEUKSAAJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine

N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine (PubChem CID 44540990) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine
PubChem CID44540990
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine
SMILESCNCCC(c1ccc2ccccc2c1)n1nnc(C)n1
InChIInChI=1S/C16H19N5/c1-12-18-20-21(19-12)16(9-10-17-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17H,9-10H2,1-2H3
InChIKeyVSRNUBMEUKSAAJ-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine (CID 44540990) is N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine is CNCCC(c1ccc2ccccc2c1)n1nnc(C)n1.
What is the InChIKey of N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine?
The InChIKey is VSRNUBMEUKSAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-18-20-21(19-12)16(9-10-17-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17H,9-10H2,1-2H3.
What are the key properties of N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine?
N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine is sourced from PubChem (CID 44540990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).