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

C16H19N5 — CID 44539866

IUPAC(3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine
SMILESCNCC[C@@H](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/t16-/m0/s1
InChIKeyVSRNUBMEUKSAAJ-INIZCTEOSA-N
MW281.36 g/mol
LogP2.33
Rot. Bonds5

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

(3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine (PubChem CID 44539866) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine
PubChem CID44539866
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name(3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine
SMILESCNCC[C@@H](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/t16-/m0/s1
InChIKeyVSRNUBMEUKSAAJ-INIZCTEOSA-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 (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine?
The IUPAC name of (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine (CID 44539866) is (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine?
The canonical SMILES for (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine is CNCC[C@@H](c1ccc2ccccc2c1)n1nnc(C)n1.
What is the InChIKey of (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine?
The InChIKey is VSRNUBMEUKSAAJ-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine?
(3S)-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 (3S)-N-methyl-3-(5-methyltetrazol-2-yl)-3-naphthalen-2-ylpropan-1-amine is sourced from PubChem (CID 44539866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).