N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine

C18H25N5O — CID 141495675

IUPACN-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine
SMILESCOc1ccc(C(C)C)cc1C1=C(CNc2nn[nH]n2)CCCC1
InChIInChI=1S/C18H25N5O/c1-12(2)13-8-9-17(24-3)16(10-13)15-7-5-4-6-14(15)11-19-18-20-22-23-21-18/h8-10,12H,4-7,11H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyXIOIBJAWMOBUGW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.77
Rot. Bonds6

About N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine

N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine (PubChem CID 141495675) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine
PubChem CID141495675
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine
SMILESCOc1ccc(C(C)C)cc1C1=C(CNc2nn[nH]n2)CCCC1
InChIInChI=1S/C18H25N5O/c1-12(2)13-8-9-17(24-3)16(10-13)15-7-5-4-6-14(15)11-19-18-20-22-23-21-18/h8-10,12H,4-7,11H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyXIOIBJAWMOBUGW-UHFFFAOYSA-N
XLogP3.77
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine (CID 141495675) is N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine is COc1ccc(C(C)C)cc1C1=C(CNc2nn[nH]n2)CCCC1.
What is the InChIKey of N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine?
The InChIKey is XIOIBJAWMOBUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12(2)13-8-9-17(24-3)16(10-13)15-7-5-4-6-14(15)11-19-18-20-22-23-21-18/h8-10,12H,4-7,11H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine?
N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine has a molecular weight of 327.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-5-propan-2-ylphenyl)cyclohexen-1-yl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 141495675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).