5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine

C15H22N6 — CID 63243468

IUPAC5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
SMILESCC1CCC(Cn2nnnc2-c2cc(N)cc(N)c2)CC1
InChIInChI=1S/C15H22N6/c1-10-2-4-11(5-3-10)9-21-15(18-19-20-21)12-6-13(16)8-14(17)7-12/h6-8,10-11H,2-5,9,16-17H2,1H3
InChIKeyLNIBDOBVKDXPQY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.33
Rot. Bonds3

About 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine

5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine (PubChem CID 63243468) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
PubChem CID63243468
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
SMILESCC1CCC(Cn2nnnc2-c2cc(N)cc(N)c2)CC1
InChIInChI=1S/C15H22N6/c1-10-2-4-11(5-3-10)9-21-15(18-19-20-21)12-6-13(16)8-14(17)7-12/h6-8,10-11H,2-5,9,16-17H2,1H3
InChIKeyLNIBDOBVKDXPQY-UHFFFAOYSA-N
XLogP2.33
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The IUPAC name of 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine (CID 63243468) is 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine is CC1CCC(Cn2nnnc2-c2cc(N)cc(N)c2)CC1.
What is the InChIKey of 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The InChIKey is LNIBDOBVKDXPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10-2-4-11(5-3-10)9-21-15(18-19-20-21)12-6-13(16)8-14(17)7-12/h6-8,10-11H,2-5,9,16-17H2,1H3.
What are the key properties of 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 63243468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).