[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine

C19H37NO — CID 43428856

IUPAC[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(OC2CCCCC2C)C1
InChIInChI=1S/C19H37NO/c1-5-19(3,4)16-11-10-15(13-20)18(12-16)21-17-9-7-6-8-14(17)2/h14-18H,5-13,20H2,1-4H3
InChIKeyPFOVWODTKSKCLD-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.76
Rot. Bonds5

About [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine (PubChem CID 43428856) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine
PubChem CID43428856
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(OC2CCCCC2C)C1
InChIInChI=1S/C19H37NO/c1-5-19(3,4)16-11-10-15(13-20)18(12-16)21-17-9-7-6-8-14(17)2/h14-18H,5-13,20H2,1-4H3
InChIKeyPFOVWODTKSKCLD-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine (CID 43428856) is [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(OC2CCCCC2C)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine?
The InChIKey is PFOVWODTKSKCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-5-19(3,4)16-11-10-15(13-20)18(12-16)21-17-9-7-6-8-14(17)2/h14-18H,5-13,20H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine has a molecular weight of 295.51 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine is sourced from PubChem (CID 43428856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).