4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine

C18H29N — CID 23498005

IUPAC4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine
SMILESCC(C)c1cccc(C(C)C)c1C1CCC(N)CC1
InChIInChI=1S/C18H29N/c1-12(2)16-6-5-7-17(13(3)4)18(16)14-8-10-15(19)11-9-14/h5-7,12-15H,8-11,19H2,1-4H3
InChIKeyKIXYAAAHGYPSAF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.92
Rot. Bonds3

About 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine

4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine (PubChem CID 23498005) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine
PubChem CID23498005
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine
SMILESCC(C)c1cccc(C(C)C)c1C1CCC(N)CC1
InChIInChI=1S/C18H29N/c1-12(2)16-6-5-7-17(13(3)4)18(16)14-8-10-15(19)11-9-14/h5-7,12-15H,8-11,19H2,1-4H3
InChIKeyKIXYAAAHGYPSAF-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine (CID 23498005) is 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine is CC(C)c1cccc(C(C)C)c1C1CCC(N)CC1.
What is the InChIKey of 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine?
The InChIKey is KIXYAAAHGYPSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12(2)16-6-5-7-17(13(3)4)18(16)14-8-10-15(19)11-9-14/h5-7,12-15H,8-11,19H2,1-4H3.
What are the key properties of 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine?
4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 23498005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).