3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine

C10H19N5O — CID 106872020

IUPAC3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCC(NC(C)c2nn[nH]n2)C1
InChIInChI=1S/C10H19N5O/c1-7(10-12-14-15-13-10)11-8-4-3-5-9(6-8)16-2/h7-9,11H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyZSUQCQKDZHGJSR-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.81
Rot. Bonds4

About 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine

3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine (PubChem CID 106872020) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine
PubChem CID106872020
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCC(NC(C)c2nn[nH]n2)C1
InChIInChI=1S/C10H19N5O/c1-7(10-12-14-15-13-10)11-8-4-3-5-9(6-8)16-2/h7-9,11H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyZSUQCQKDZHGJSR-UHFFFAOYSA-N
XLogP0.81
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine (CID 106872020) is 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine is COC1CCCC(NC(C)c2nn[nH]n2)C1.
What is the InChIKey of 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ZSUQCQKDZHGJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(10-12-14-15-13-10)11-8-4-3-5-9(6-8)16-2/h7-9,11H,3-6H2,1-2H3,(H,12,13,14,15).
What are the key properties of 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine?
3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106872020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).