3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

C9H19N5O — CID 107443277

IUPAC3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCC(C)C(CN)C(O)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O/c1-6(2)7(5-10)8(15)4-9-11-13-14(3)12-9/h6-8,15H,4-5,10H2,1-3H3
InChIKeyJAXINDVYURCSIK-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.66
Rot. Bonds5

About 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 107443277) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
PubChem CID107443277
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCC(C)C(CN)C(O)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O/c1-6(2)7(5-10)8(15)4-9-11-13-14(3)12-9/h6-8,15H,4-5,10H2,1-3H3
InChIKeyJAXINDVYURCSIK-UHFFFAOYSA-N
XLogP-0.66
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (CID 107443277) is 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is CC(C)C(CN)C(O)Cc1nnn(C)n1.
What is the InChIKey of 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is JAXINDVYURCSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-6(2)7(5-10)8(15)4-9-11-13-14(3)12-9/h6-8,15H,4-5,10H2,1-3H3.
What are the key properties of 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 213.28 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 107443277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).