4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine

C9H17N5O — CID 107046738

IUPAC4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine
SMILESCn1nnc(CC2(N)CCCOCC2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-8(11-13-14)7-9(10)3-2-5-15-6-4-9/h2-7,10H2,1H3
InChIKeyHAAIAVJRUOFWTN-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.35
Rot. Bonds2

About 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine

4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine (PubChem CID 107046738) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine.

Molecular Properties

Compound Name4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine
PubChem CID107046738
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine
SMILESCn1nnc(CC2(N)CCCOCC2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-8(11-13-14)7-9(10)3-2-5-15-6-4-9/h2-7,10H2,1H3
InChIKeyHAAIAVJRUOFWTN-UHFFFAOYSA-N
XLogP-0.35
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-2-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107046673
4-[(2-Methyltetrazol-5-yl)methyl]oxan-4-amine
CID 107046694
3-[(2-Methyltetrazol-5-yl)methyl]oxan-3-amine
CID 107046699
2-(2-Methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanamine
CID 107049451
2-(2-Methyltetrazol-5-yl)-1-(oxan-4-yl)ethanamine
CID 107049459
3-[(2-Methyltetrazol-5-yl)methyl]oxolan-3-amine
CID 107057215
1-(2-Methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065041
5-Methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107065054

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine?
The IUPAC name of 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine (CID 107046738) is 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine.
What is the SMILES notation for 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine?
The canonical SMILES for 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine is Cn1nnc(CC2(N)CCCOCC2)n1.
What is the InChIKey of 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine?
The InChIKey is HAAIAVJRUOFWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-12-8(11-13-14)7-9(10)3-2-5-15-6-4-9/h2-7,10H2,1H3.
What are the key properties of 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine?
4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine has a molecular weight of 211.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyltetrazol-5-yl)methyl]oxepan-4-amine is sourced from PubChem (CID 107046738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).