1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine

C9H17N5 — CID 62737075

IUPAC1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine
SMILESCNCc1nnnn1C1CCCCC1
InChIInChI=1S/C9H17N5/c1-10-7-9-11-12-13-14(9)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3
InChIKeyOGXWERLWPBIMRO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.90
Rot. Bonds3

About 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine

1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine (PubChem CID 62737075) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine
PubChem CID62737075
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine
SMILESCNCc1nnnn1C1CCCCC1
InChIInChI=1S/C9H17N5/c1-10-7-9-11-12-13-14(9)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3
InChIKeyOGXWERLWPBIMRO-UHFFFAOYSA-N
XLogP0.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine (CID 62737075) is 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine is CNCc1nnnn1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine?
The InChIKey is OGXWERLWPBIMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-10-7-9-11-12-13-14(9)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3.
What are the key properties of 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine?
1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 62737075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).