1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine

C25H33N5O2 — CID 3193711

IUPAC1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCc1ccc(C(c2nnnn2C2CCCCC2)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C25H33N5O2/c1-19-11-13-20(14-12-19)24(25-26-27-28-30(25)21-7-3-2-4-8-21)29(17-22-9-5-15-31-22)18-23-10-6-16-32-23/h5,9,11-15,21,23-24H,2-4,6-8,10,16-18H2,1H3
InChIKeyAFEZKHXBFMIBMC-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.85
Rot. Bonds8

About 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine

1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 3193711) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
PubChem CID3193711
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCc1ccc(C(c2nnnn2C2CCCCC2)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C25H33N5O2/c1-19-11-13-20(14-12-19)24(25-26-27-28-30(25)21-7-3-2-4-8-21)29(17-22-9-5-15-31-22)18-23-10-6-16-32-23/h5,9,11-15,21,23-24H,2-4,6-8,10,16-18H2,1H3
InChIKeyAFEZKHXBFMIBMC-UHFFFAOYSA-N
XLogP4.85
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 124764092
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124898525
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 124898560
3-[(1-cyclopentyltetrazol-5-yl)-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3187142
3-[(1-cyclopentyltetrazol-5-yl)-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3187813
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 40594763
(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 1439031
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 28606890
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 28606346
(1S)-1-(1-tert-butyltetrazol-5-yl)-N-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124764168
3-[(S)-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124898112
3-[(S)-(1-tert-butyltetrazol-5-yl)-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1074323

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine (CID 3193711) is 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine is Cc1ccc(C(c2nnnn2C2CCCCC2)N(Cc2ccco2)CC2CCCO2)cc1.
What is the InChIKey of 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is AFEZKHXBFMIBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19-11-13-20(14-12-19)24(25-26-27-28-30(25)21-7-3-2-4-8-21)29(17-22-9-5-15-31-22)18-23-10-6-16-32-23/h5,9,11-15,21,23-24H,2-4,6-8,10,16-18H2,1H3.
What are the key properties of 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine?
1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 435.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 3193711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).