N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine

C21H30FN5 — CID 3173829

IUPACN-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine
SMILESCN(C1CCCCC1)C(c1ccc(F)cc1)c1nnnn1C1CCCCC1
InChIInChI=1S/C21H30FN5/c1-26(18-8-4-2-5-9-18)20(16-12-14-17(22)15-13-16)21-23-24-25-27(21)19-10-6-3-7-11-19/h12-15,18-20H,2-11H2,1H3
InChIKeySOKMNHUOJCZRKE-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.67
Rot. Bonds5

About N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine

N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine (PubChem CID 3173829) has the molecular formula C21H30FN5 and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine
PubChem CID3173829
Molecular FormulaC21H30FN5
Molecular Weight371.50 g/mol
Exact Mass371.25
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine
SMILESCN(C1CCCCC1)C(c1ccc(F)cc1)c1nnnn1C1CCCCC1
InChIInChI=1S/C21H30FN5/c1-26(18-8-4-2-5-9-18)20(16-12-14-17(22)15-13-16)21-23-24-25-27(21)19-10-6-3-7-11-19/h12-15,18-20H,2-11H2,1H3
InChIKeySOKMNHUOJCZRKE-UHFFFAOYSA-N
XLogP4.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
CID 7125336
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
CID 7242468
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1159204
3-[(S)-[cyclohexyl(methyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40603314
3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40603412
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668115
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860
benzyl-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-[(4-fluorophenyl)methyl]azanium
CID 7140978
(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 1439031
2-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7382959

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine (CID 3173829) is N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine is CN(C1CCCCC1)C(c1ccc(F)cc1)c1nnnn1C1CCCCC1.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine?
The InChIKey is SOKMNHUOJCZRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5/c1-26(18-8-4-2-5-9-18)20(16-12-14-17(22)15-13-16)21-23-24-25-27(21)19-10-6-3-7-11-19/h12-15,18-20H,2-11H2,1H3.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine?
N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine has a molecular weight of 371.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 3173829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).