2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol

C16H29NO — CID 60714601

IUPAC2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol
SMILESCC1(C)C2CCC1(C)C(NC1CCCCC1O)C2
InChIInChI=1S/C16H29NO/c1-15(2)11-8-9-16(15,3)14(10-11)17-12-6-4-5-7-13(12)18/h11-14,17-18H,4-10H2,1-3H3
InChIKeyCWICOMRZTJCWRG-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.09
Rot. Bonds2

About 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol

2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol (PubChem CID 60714601) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol
PubChem CID60714601
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol
SMILESCC1(C)C2CCC1(C)C(NC1CCCCC1O)C2
InChIInChI=1S/C16H29NO/c1-15(2)11-8-9-16(15,3)14(10-11)17-12-6-4-5-7-13(12)18/h11-14,17-18H,4-10H2,1-3H3
InChIKeyCWICOMRZTJCWRG-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol (CID 60714601) is 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol is CC1(C)C2CCC1(C)C(NC1CCCCC1O)C2.
What is the InChIKey of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol?
The InChIKey is CWICOMRZTJCWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-15(2)11-8-9-16(15,3)14(10-11)17-12-6-4-5-7-13(12)18/h11-14,17-18H,4-10H2,1-3H3.
What are the key properties of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol?
2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 60714601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).