N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride

C19H30ClN5 — CID 6602764

IUPACN-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)C(c1ccc(C)cc1)c1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C19H29N5.ClH/c1-4-23(5-2)18(16-13-11-15(3)12-14-16)19-20-21-22-24(19)17-9-7-6-8-10-17;/h11-14,17-18H,4-10H2,1-3H3;1H
InChIKeyRNNVUTHXZYPIRZ-UHFFFAOYSA-N
MW363.94 g/mol
LogP4.34
Rot. Bonds6

About N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride

N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride (PubChem CID 6602764) has the molecular formula C19H30ClN5 and a molecular weight of 363.94 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride
PubChem CID6602764
Molecular FormulaC19H30ClN5
Molecular Weight363.94 g/mol
Exact Mass363.22
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)C(c1ccc(C)cc1)c1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C19H29N5.ClH/c1-4-23(5-2)18(16-13-11-15(3)12-14-16)19-20-21-22-24(19)17-9-7-6-8-10-17;/h11-14,17-18H,4-10H2,1-3H3;1H
InChIKeyRNNVUTHXZYPIRZ-UHFFFAOYSA-N
XLogP4.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.94
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride (CID 6602764) is N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride is CCN(CC)C(c1ccc(C)cc1)c1nnnn1C1CCCCC1.Cl.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride?
The InChIKey is RNNVUTHXZYPIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5.ClH/c1-4-23(5-2)18(16-13-11-15(3)12-14-16)19-20-21-22-24(19)17-9-7-6-8-10-17;/h11-14,17-18H,4-10H2,1-3H3;1H.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride?
N-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-N-ethylethanamine;hydrochloride has a molecular weight of 363.94 g/mol, XLogP of 4.34, 6 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-methylphenyl)methyl]-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 6602764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).