N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine

C16H17N5 — CID 62762574

IUPACN-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESc1ccc2c(Cn3nnnc3CNC3CC3)cccc2c1
InChIInChI=1S/C16H17N5/c1-2-7-15-12(4-1)5-3-6-13(15)11-21-16(18-19-20-21)10-17-14-8-9-14/h1-7,14,17H,8-11H2
InChIKeyKGNWMQRHPRMZBN-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.13
Rot. Bonds5

About N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62762574) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62762574
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESc1ccc2c(Cn3nnnc3CNC3CC3)cccc2c1
InChIInChI=1S/C16H17N5/c1-2-7-15-12(4-1)5-3-6-13(15)11-21-16(18-19-20-21)10-17-14-8-9-14/h1-7,14,17H,8-11H2
InChIKeyKGNWMQRHPRMZBN-UHFFFAOYSA-N
XLogP2.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 62762574) is N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine is c1ccc2c(Cn3nnnc3CNC3CC3)cccc2c1.
What is the InChIKey of N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is KGNWMQRHPRMZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-7-15-12(4-1)5-3-6-13(15)11-21-16(18-19-20-21)10-17-14-8-9-14/h1-7,14,17H,8-11H2.
What are the key properties of N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 279.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62762574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).