8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol

C14H25NO — CID 79128848

IUPAC8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCC(C)(CN)C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO/c1-13(2,8-15)14(16)7-9-6-12(14)11-5-3-4-10(9)11/h9-12,16H,3-8,15H2,1-2H3
InChIKeyGTJVWAKLBXOQEU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.16
Rot. Bonds2

About 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol

8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 79128848) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID79128848
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCC(C)(CN)C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO/c1-13(2,8-15)14(16)7-9-6-12(14)11-5-3-4-10(9)11/h9-12,16H,3-8,15H2,1-2H3
InChIKeyGTJVWAKLBXOQEU-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol (CID 79128848) is 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol is CC(C)(CN)C1(O)CC2CC1C1CCCC21.
What is the InChIKey of 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is GTJVWAKLBXOQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2,8-15)14(16)7-9-6-12(14)11-5-3-4-10(9)11/h9-12,16H,3-8,15H2,1-2H3.
What are the key properties of 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol?
8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 223.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 79128848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).