2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine

C26H36N4O — CID 166767600

IUPAC2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine
SMILESCc1noc(-c2ccc(NC34CCC5CCC(CC5C3)C4)c(NC3CCCCC3)c2)n1
InChIInChI=1S/C26H36N4O/c1-17-27-25(31-30-17)20-9-10-23(24(14-20)28-22-5-3-2-4-6-22)29-26-12-11-19-8-7-18(15-26)13-21(19)16-26/h9-10,14,18-19,21-22,28-29H,2-8,11-13,15-16H2,1H3
InChIKeyAKIYKGACOCDWLD-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.56
Rot. Bonds5

About 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine

2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine (PubChem CID 166767600) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine
PubChem CID166767600
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine
SMILESCc1noc(-c2ccc(NC34CCC5CCC(CC5C3)C4)c(NC3CCCCC3)c2)n1
InChIInChI=1S/C26H36N4O/c1-17-27-25(31-30-17)20-9-10-23(24(14-20)28-22-5-3-2-4-6-22)29-26-12-11-19-8-7-18(15-26)13-21(19)16-26/h9-10,14,18-19,21-22,28-29H,2-8,11-13,15-16H2,1H3
InChIKeyAKIYKGACOCDWLD-UHFFFAOYSA-N
XLogP6.56
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine with MolForge

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Related Compounds

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CID 146637261
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
N-cyclohexyl-4-methyl-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 118263814
N-(3,5-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 133362349
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
CID 162383891
N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 159289867
N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133481460
N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 70002094
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 4175475
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine
CID 133320073
1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine
CID 146637112

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine?
The IUPAC name of 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine (CID 166767600) is 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine is Cc1noc(-c2ccc(NC34CCC5CCC(CC5C3)C4)c(NC3CCCCC3)c2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine?
The InChIKey is AKIYKGACOCDWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-17-27-25(31-30-17)20-9-10-23(24(14-20)28-22-5-3-2-4-6-22)29-26-12-11-19-8-7-18(15-26)13-21(19)16-26/h9-10,14,18-19,21-22,28-29H,2-8,11-13,15-16H2,1H3.
What are the key properties of 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine?
2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine has a molecular weight of 420.60 g/mol, XLogP of 6.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine is sourced from PubChem (CID 166767600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).