N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine

C9H19N5 — CID 62763660

IUPACN-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine
SMILESCCC(C(C)C)n1nnnc1CNC
InChIInChI=1S/C9H19N5/c1-5-8(7(2)3)14-9(6-10-4)11-12-13-14/h7-8,10H,5-6H2,1-4H3
InChIKeyAEDZNANVEADWHP-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.00
Rot. Bonds5

About N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine

N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine (PubChem CID 62763660) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine
PubChem CID62763660
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine
SMILESCCC(C(C)C)n1nnnc1CNC
InChIInChI=1S/C9H19N5/c1-5-8(7(2)3)14-9(6-10-4)11-12-13-14/h7-8,10H,5-6H2,1-4H3
InChIKeyAEDZNANVEADWHP-UHFFFAOYSA-N
XLogP1.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine (CID 62763660) is N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine is CCC(C(C)C)n1nnnc1CNC.
What is the InChIKey of N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine?
The InChIKey is AEDZNANVEADWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-5-8(7(2)3)14-9(6-10-4)11-12-13-14/h7-8,10H,5-6H2,1-4H3.
What are the key properties of N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine?
N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine has a molecular weight of 197.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62763660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).