2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine

C16H23N5 — CID 43194972

IUPAC2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H23N5/c1-12-6-3-4-9-16(12)18-13(2)14-7-5-8-15(10-14)21-11-17-19-20-21/h5,7-8,10-13,16,18H,3-4,6,9H2,1-2H3
InChIKeyOLTNHEWUCJBMQZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine

2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine (PubChem CID 43194972) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
PubChem CID43194972
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H23N5/c1-12-6-3-4-9-16(12)18-13(2)14-7-5-8-15(10-14)21-11-17-19-20-21/h5,7-8,10-13,16,18H,3-4,6,9H2,1-2H3
InChIKeyOLTNHEWUCJBMQZ-UHFFFAOYSA-N
XLogP2.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine (CID 43194972) is 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine is CC(NC1CCCCC1C)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine?
The InChIKey is OLTNHEWUCJBMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-6-3-4-9-16(12)18-13(2)14-7-5-8-15(10-14)21-11-17-19-20-21/h5,7-8,10-13,16,18H,3-4,6,9H2,1-2H3.
What are the key properties of 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine?
2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43194972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).