2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol

C28H29NO — CID 10135334

IUPAC2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol
SMILESNC(C1CCCCC1)C(O)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C28H29NO/c29-27(22-12-2-1-3-13-22)28(30,25-18-8-14-20-10-4-6-16-23(20)25)26-19-9-15-21-11-5-7-17-24(21)26/h4-11,14-19,22,27,30H,1-3,12-13,29H2
InChIKeyRWSXSNHDBKBBOL-UHFFFAOYSA-N
MW395.55 g/mol
LogP6.14
Rot. Bonds4

About 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol

2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol (PubChem CID 10135334) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol
PubChem CID10135334
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol
SMILESNC(C1CCCCC1)C(O)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C28H29NO/c29-27(22-12-2-1-3-13-22)28(30,25-18-8-14-20-10-4-6-16-23(20)25)26-19-9-15-21-11-5-7-17-24(21)26/h4-11,14-19,22,27,30H,1-3,12-13,29H2
InChIKeyRWSXSNHDBKBBOL-UHFFFAOYSA-N
XLogP6.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol?
The IUPAC name of 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol (CID 10135334) is 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol.
What is the SMILES notation for 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol?
The canonical SMILES for 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol is NC(C1CCCCC1)C(O)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol?
The InChIKey is RWSXSNHDBKBBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO/c29-27(22-12-2-1-3-13-22)28(30,25-18-8-14-20-10-4-6-16-23(20)25)26-19-9-15-21-11-5-7-17-24(21)26/h4-11,14-19,22,27,30H,1-3,12-13,29H2.
What are the key properties of 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol?
2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol has a molecular weight of 395.55 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol is sourced from PubChem (CID 10135334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).