1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine

C20H30N4O — CID 146637112

IUPAC1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine
SMILESCc1noc(C2=CCC(NC3CCCCC3)C(NC3CCCC3)=C2)n1
InChIInChI=1S/C20H30N4O/c1-14-21-20(25-24-14)15-11-12-18(22-16-7-3-2-4-8-16)19(13-15)23-17-9-5-6-10-17/h11,13,16-18,22-23H,2-10,12H2,1H3
InChIKeyLQZIGYSLGJWGHG-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.87
Rot. Bonds5

About 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine

1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine (PubChem CID 146637112) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine
PubChem CID146637112
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine
SMILESCc1noc(C2=CCC(NC3CCCCC3)C(NC3CCCC3)=C2)n1
InChIInChI=1S/C20H30N4O/c1-14-21-20(25-24-14)15-11-12-18(22-16-7-3-2-4-8-16)19(13-15)23-17-9-5-6-10-17/h11,13,16-18,22-23H,2-10,12H2,1H3
InChIKeyLQZIGYSLGJWGHG-UHFFFAOYSA-N
XLogP3.87
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 166767624
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole
CID 143054135
N-cyclohexyl-3-methyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 118263755
[4-(cycloheptylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanol
CID 118263750
5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole
CID 131114238
N-cycloheptyl-3,6-dimethylpyrazin-2-amine
CID 60631763
1-(1-iodoethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 67529190
N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
CID 118263799
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine
CID 174233271
1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607709

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine (CID 146637112) is 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine is Cc1noc(C2=CCC(NC3CCCCC3)C(NC3CCCC3)=C2)n1.
What is the InChIKey of 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine?
The InChIKey is LQZIGYSLGJWGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-14-21-20(25-24-14)15-11-12-18(22-16-7-3-2-4-8-16)19(13-15)23-17-9-5-6-10-17/h11,13,16-18,22-23H,2-10,12H2,1H3.
What are the key properties of 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine?
1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine has a molecular weight of 342.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 146637112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).