N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine

C15H15N5 — CID 62762601

IUPACN-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc2cc(-n3nnnc3CNC3CC3)ccc2c1
InChIInChI=1S/C15H15N5/c1-2-4-12-9-14(8-5-11(12)3-1)20-15(17-18-19-20)10-16-13-6-7-13/h1-5,8-9,13,16H,6-7,10H2
InChIKeyJQGDHXZTXRSUFC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.07
Rot. Bonds4

About N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine

N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine (PubChem CID 62762601) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine
PubChem CID62762601
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc2cc(-n3nnnc3CNC3CC3)ccc2c1
InChIInChI=1S/C15H15N5/c1-2-4-12-9-14(8-5-11(12)3-1)20-15(17-18-19-20)10-16-13-6-7-13/h1-5,8-9,13,16H,6-7,10H2
InChIKeyJQGDHXZTXRSUFC-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine (CID 62762601) is N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine is c1ccc2cc(-n3nnnc3CNC3CC3)ccc2c1.
What is the InChIKey of N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine?
The InChIKey is JQGDHXZTXRSUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-4-12-9-14(8-5-11(12)3-1)20-15(17-18-19-20)10-16-13-6-7-13/h1-5,8-9,13,16H,6-7,10H2.
What are the key properties of N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine?
N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62762601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).