1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine

C34H35N5 — CID 102190535

IUPAC1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine
SMILESc1ccc(CC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C34H35N5/c1-6-16-27(17-7-1)26-32(33-36-37-38-39(33)31-24-14-5-15-25-31)35-34(28-18-8-2-9-19-28,29-20-10-3-11-21-29)30-22-12-4-13-23-30/h1-4,6-13,16-23,31-32,35H,5,14-15,24-26H2
InChIKeyDMRGYIGYPUQMQL-UHFFFAOYSA-N
MW513.69 g/mol
LogP7.04
Rot. Bonds9

About 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine

1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine (PubChem CID 102190535) has the molecular formula C34H35N5 and a molecular weight of 513.69 g/mol. Its IUPAC name is 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine.

Molecular Properties

Compound Name1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine
PubChem CID102190535
Molecular FormulaC34H35N5
Molecular Weight513.69 g/mol
Exact Mass513.29
IUPAC Name1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine
SMILESc1ccc(CC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C34H35N5/c1-6-16-27(17-7-1)26-32(33-36-37-38-39(33)31-24-14-5-15-25-31)35-34(28-18-8-2-9-19-28,29-20-10-3-11-21-29)30-22-12-4-13-23-30/h1-4,6-13,16-23,31-32,35H,5,14-15,24-26H2
InChIKeyDMRGYIGYPUQMQL-UHFFFAOYSA-N
XLogP7.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazine-1,4-diium
CID 7383831
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
benzyl-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-[(4-fluorophenyl)methyl]azanium
CID 7140978
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium
CID 7383550
benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium
CID 6985898
1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040
1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine
CID 21156850
3-[(1-cyclopentyltetrazol-5-yl)-[[1-(furan-2-yl)-2-phenylethyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 22298704
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
N-[(1-cyclohexyltetrazol-5-yl)-(4-prop-2-ynoxyphenyl)methyl]aniline
CID 171368932
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382839

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine?
The IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine (CID 102190535) is 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine.
What is the SMILES notation for 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine?
The canonical SMILES for 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine is c1ccc(CC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2nnnn2C2CCCCC2)cc1.
What is the InChIKey of 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine?
The InChIKey is DMRGYIGYPUQMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5/c1-6-16-27(17-7-1)26-32(33-36-37-38-39(33)31-24-14-5-15-25-31)35-34(28-18-8-2-9-19-28,29-20-10-3-11-21-29)30-22-12-4-13-23-30/h1-4,6-13,16-23,31-32,35H,5,14-15,24-26H2.
What are the key properties of 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine?
1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine has a molecular weight of 513.69 g/mol, XLogP of 7.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine is sourced from PubChem (CID 102190535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).