[1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine

C18H35NO — CID 63473538

IUPAC[1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
SMILESCCC1CCCCC1OC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C18H35NO/c1-4-15-7-5-6-8-17(15)20-18(13-19)11-9-16(10-12-18)14(2)3/h14-17H,4-13,19H2,1-3H3
InChIKeyHOKFXXYMPXOCNG-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.52
Rot. Bonds5

About [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine

[1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 63473538) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
PubChem CID63473538
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name[1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
SMILESCCC1CCCCC1OC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C18H35NO/c1-4-15-7-5-6-8-17(15)20-18(13-19)11-9-16(10-12-18)14(2)3/h14-17H,4-13,19H2,1-3H3
InChIKeyHOKFXXYMPXOCNG-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine (CID 63473538) is [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine is CCC1CCCCC1OC1(CN)CCC(C(C)C)CC1.
What is the InChIKey of [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is HOKFXXYMPXOCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-15-7-5-6-8-17(15)20-18(13-19)11-9-16(10-12-18)14(2)3/h14-17H,4-13,19H2,1-3H3.
What are the key properties of [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
[1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 281.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 63473538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).