(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol

C14H25NO — CID 103922588

IUPAC(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol
SMILESCC[C@H](CO)NC1CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO/c1-2-10(8-16)15-14-7-9-6-13(14)12-5-3-4-11(9)12/h9-16H,2-8H2,1H3/t9?,10-,11?,12?,13?,14?/m1/s1
InChIKeyTYXAGJXIWMKPNO-CCDBMKQKSA-N
MW223.36 g/mol
LogP2.17
Rot. Bonds4

About (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol

(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol (PubChem CID 103922588) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol
PubChem CID103922588
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol
SMILESCC[C@H](CO)NC1CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO/c1-2-10(8-16)15-14-7-9-6-13(14)12-5-3-4-11(9)12/h9-16H,2-8H2,1H3/t9?,10-,11?,12?,13?,14?/m1/s1
InChIKeyTYXAGJXIWMKPNO-CCDBMKQKSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol?
The IUPAC name of (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol (CID 103922588) is (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol is CC[C@H](CO)NC1CC2CC1C1CCCC21.
What is the InChIKey of (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol?
The InChIKey is TYXAGJXIWMKPNO-CCDBMKQKSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-10(8-16)15-14-7-9-6-13(14)12-5-3-4-11(9)12/h9-16H,2-8H2,1H3/t9?,10-,11?,12?,13?,14?/m1/s1.
What are the key properties of (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol?
(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol is sourced from PubChem (CID 103922588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).