(1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C20H23N5 — CID 124872026

IUPAC(1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESCn1nnnc1CN[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H23N5/c1-25-19(22-23-24-25)14-21-20(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-6,8-10,12,18,20-21H,7,11,13-14H2,1H3/t18-,20-/m1/s1
InChIKeyQDSGFUVHDWCQMQ-UYAOXDASSA-N
MW333.44 g/mol
LogP3.16
Rot. Bonds5

About (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

(1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 124872026) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name(1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID124872026
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name(1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESCn1nnnc1CN[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H23N5/c1-25-19(22-23-24-25)14-21-20(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-6,8-10,12,18,20-21H,7,11,13-14H2,1H3/t18-,20-/m1/s1
InChIKeyQDSGFUVHDWCQMQ-UYAOXDASSA-N
XLogP3.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 124872026) is (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is Cn1nnnc1CN[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21.
What is the InChIKey of (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is QDSGFUVHDWCQMQ-UYAOXDASSA-N. The full InChI is InChI=1S/C20H23N5/c1-25-19(22-23-24-25)14-21-20(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-6,8-10,12,18,20-21H,7,11,13-14H2,1H3/t18-,20-/m1/s1.
What are the key properties of (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
(1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 333.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 124872026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).