(4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium

C24H34N5O+ — CID 7140935

IUPAC(4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium
SMILESCC(C)(C)c1ccc(C[NH+](Cc2ccco2)Cc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C24H33N5O/c1-24(2,3)20-13-11-19(12-14-20)16-28(17-22-10-7-15-30-22)18-23-25-26-27-29(23)21-8-5-4-6-9-21/h7,10-15,21H,4-6,8-9,16-18H2,1-3H3/p+1
InChIKeyNAZQYSWIQDGHPW-UHFFFAOYSA-O
MW408.57 g/mol
LogP3.85
Rot. Bonds7

About (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium

(4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium (PubChem CID 7140935) has the molecular formula C24H34N5O+ and a molecular weight of 408.57 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium
PubChem CID7140935
Molecular FormulaC24H34N5O+
Molecular Weight408.57 g/mol
Exact Mass408.28
IUPAC Name(4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium
SMILESCC(C)(C)c1ccc(C[NH+](Cc2ccco2)Cc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C24H33N5O/c1-24(2,3)20-13-11-19(12-14-20)16-28(17-22-10-7-15-30-22)18-23-25-26-27-29(23)21-8-5-4-6-9-21/h7,10-15,21H,4-6,8-9,16-18H2,1-3H3/p+1
InChIKeyNAZQYSWIQDGHPW-UHFFFAOYSA-O
XLogP3.85
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium with MolForge

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Related Compounds

(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6972307
(1-cyclopentyltetrazol-5-yl)methyl-[(3-methoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7140994
benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium
CID 6985898
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1171210
N-cyclopropyl-4-[[(1-cyclopropyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 55994501
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 654016
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170879
1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
CID 53314125
(1R)-2-[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 97078680
1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium
CID 7125273
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171706
3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline
CID 61354468

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium?
The IUPAC name of (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium (CID 7140935) is (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium is CC(C)(C)c1ccc(C[NH+](Cc2ccco2)Cc2nnnn2C2CCCCC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium?
The InChIKey is NAZQYSWIQDGHPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33N5O/c1-24(2,3)20-13-11-19(12-14-20)16-28(17-22-10-7-15-30-22)18-23-25-26-27-29(23)21-8-5-4-6-9-21/h7,10-15,21H,4-6,8-9,16-18H2,1-3H3/p+1.
What are the key properties of (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium?
(4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium has a molecular weight of 408.57 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7140935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).