N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine

C21H27N5S — CID 654196

IUPACN-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCN(Cc1ccccc1)C(c1cccs1)c1nnnn1C1CCCCC1
InChIInChI=1S/C21H27N5S/c1-2-25(16-17-10-5-3-6-11-17)20(19-14-9-15-27-19)21-22-23-24-26(21)18-12-7-4-8-13-18/h3,5-6,9-11,14-15,18,20H,2,4,7-8,12-13,16H2,1H3
InChIKeyQLPCICJMQRAXDA-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.85
Rot. Bonds7

About N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine

N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 654196) has the molecular formula C21H27N5S and a molecular weight of 381.55 g/mol. Its IUPAC name is N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID654196
Molecular FormulaC21H27N5S
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC NameN-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCN(Cc1ccccc1)C(c1cccs1)c1nnnn1C1CCCCC1
InChIInChI=1S/C21H27N5S/c1-2-25(16-17-10-5-3-6-11-17)20(19-14-9-15-27-19)21-22-23-24-26(21)18-12-7-4-8-13-18/h3,5-6,9-11,14-15,18,20H,2,4,7-8,12-13,16H2,1H3
InChIKeyQLPCICJMQRAXDA-UHFFFAOYSA-N
XLogP4.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine (CID 654196) is N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine is CCN(Cc1ccccc1)C(c1cccs1)c1nnnn1C1CCCCC1.
What is the InChIKey of N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is QLPCICJMQRAXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5S/c1-2-25(16-17-10-5-3-6-11-17)20(19-14-9-15-27-19)21-22-23-24-26(21)18-12-7-4-8-13-18/h3,5-6,9-11,14-15,18,20H,2,4,7-8,12-13,16H2,1H3.
What are the key properties of N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine?
N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 381.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 654196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).