(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol

C10H19NO — CID 83905743

IUPAC(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol
SMILESNC1(CO)CCCC2CCCC21
InChIInChI=1S/C10H19NO/c11-10(7-12)6-2-4-8-3-1-5-9(8)10/h8-9,12H,1-7,11H2
InChIKeyMWIZUEDWWCKZGQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.28
Rot. Bonds1

About (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol

(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol (PubChem CID 83905743) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol
PubChem CID83905743
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol
SMILESNC1(CO)CCCC2CCCC21
InChIInChI=1S/C10H19NO/c11-10(7-12)6-2-4-8-3-1-5-9(8)10/h8-9,12H,1-7,11H2
InChIKeyMWIZUEDWWCKZGQ-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol?
The IUPAC name of (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol (CID 83905743) is (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol.
What is the SMILES notation for (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol?
The canonical SMILES for (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol is NC1(CO)CCCC2CCCC21.
What is the InChIKey of (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol?
The InChIKey is MWIZUEDWWCKZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-10(7-12)6-2-4-8-3-1-5-9(8)10/h8-9,12H,1-7,11H2.
What are the key properties of (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol?
(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol has a molecular weight of 169.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol is sourced from PubChem (CID 83905743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).