4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine

C18H29NO — CID 63411885

IUPAC4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCC(C)Oc1ccc(C2(N)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-13(2)15-9-11-18(19,12-10-15)16-5-7-17(8-6-16)20-14(3)4/h5-8,13-15H,9-12,19H2,1-4H3
InChIKeyARSHZZRYPXRNFK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.47
Rot. Bonds4

About 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine

4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine (PubChem CID 63411885) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
PubChem CID63411885
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCC(C)Oc1ccc(C2(N)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-13(2)15-9-11-18(19,12-10-15)16-5-7-17(8-6-16)20-14(3)4/h5-8,13-15H,9-12,19H2,1-4H3
InChIKeyARSHZZRYPXRNFK-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine (CID 63411885) is 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine is CC(C)Oc1ccc(C2(N)CCC(C(C)C)CC2)cc1.
What is the InChIKey of 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The InChIKey is ARSHZZRYPXRNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)15-9-11-18(19,12-10-15)16-5-7-17(8-6-16)20-14(3)4/h5-8,13-15H,9-12,19H2,1-4H3.
What are the key properties of 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 63411885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).