1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine

C11H21N5O — CID 107044440

IUPAC1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine
SMILESCn1nnc(COCC2(N)CCCCCC2)n1
InChIInChI=1S/C11H21N5O/c1-16-14-10(13-15-16)8-17-9-11(12)6-4-2-3-5-7-11/h2-9,12H2,1H3
InChIKeyQPRZRIUKTHAKQF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.78
Rot. Bonds4

About 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine

1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine (PubChem CID 107044440) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine
PubChem CID107044440
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine
SMILESCn1nnc(COCC2(N)CCCCCC2)n1
InChIInChI=1S/C11H21N5O/c1-16-14-10(13-15-16)8-17-9-11(12)6-4-2-3-5-7-11/h2-9,12H2,1H3
InChIKeyQPRZRIUKTHAKQF-UHFFFAOYSA-N
XLogP0.78
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine (CID 107044440) is 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine is Cn1nnc(COCC2(N)CCCCCC2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine?
The InChIKey is QPRZRIUKTHAKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-16-14-10(13-15-16)8-17-9-11(12)6-4-2-3-5-7-11/h2-9,12H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine?
1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 107044440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).