4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride

C15H21ClN6O — CID 175112043

IUPAC4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCC2CCCCC2)c(-n2cnnn2)c1
InChIInChI=1S/C15H20N6O.ClH/c16-15(17)12-6-7-14(13(8-12)21-10-18-19-20-21)22-9-11-4-2-1-3-5-11;/h6-8,10-11H,1-5,9H2,(H3,16,17);1H
InChIKeyCWRVRLZYVZFPKU-UHFFFAOYSA-N
MW336.83 g/mol
LogP2.33
Rot. Bonds5

About 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride

4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride (PubChem CID 175112043) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride
PubChem CID175112043
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCC2CCCCC2)c(-n2cnnn2)c1
InChIInChI=1S/C15H20N6O.ClH/c16-15(17)12-6-7-14(13(8-12)21-10-18-19-20-21)22-9-11-4-2-1-3-5-11;/h6-8,10-11H,1-5,9H2,(H3,16,17);1H
InChIKeyCWRVRLZYVZFPKU-UHFFFAOYSA-N
XLogP2.33
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylmethoxy)-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
CID 155663753
4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide
CID 175107747
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
CID 103567631
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide
CID 103134728
(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 75501375
3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid
CID 120536453

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride (CID 175112043) is 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCC2CCCCC2)c(-n2cnnn2)c1.
What is the InChIKey of 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride?
The InChIKey is CWRVRLZYVZFPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c16-15(17)12-6-7-14(13(8-12)21-10-18-19-20-21)22-9-11-4-2-1-3-5-11;/h6-8,10-11H,1-5,9H2,(H3,16,17);1H.
What are the key properties of 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride?
4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 175112043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).