5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine

C9H19N5O — CID 107065054

IUPAC5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
SMILESCOCC(C)CC(N)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O/c1-7(6-15-3)4-8(10)5-9-11-13-14(2)12-9/h7-8H,4-6,10H2,1-3H3
InChIKeyKBVOCGVROGXMCH-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.25
Rot. Bonds6

About 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine

5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine (PubChem CID 107065054) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
PubChem CID107065054
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
SMILESCOCC(C)CC(N)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O/c1-7(6-15-3)4-8(10)5-9-11-13-14(2)12-9/h7-8H,4-6,10H2,1-3H3
InChIKeyKBVOCGVROGXMCH-UHFFFAOYSA-N
XLogP-0.25
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The IUPAC name of 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine (CID 107065054) is 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The canonical SMILES for 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine is COCC(C)CC(N)Cc1nnn(C)n1.
What is the InChIKey of 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The InChIKey is KBVOCGVROGXMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-7(6-15-3)4-8(10)5-9-11-13-14(2)12-9/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine?
5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine has a molecular weight of 213.28 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine is sourced from PubChem (CID 107065054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).