(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol

C15H28N2O — CID 163178155

IUPAC(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol
SMILESCC1(C)CC2NC3CCCCC3C(N)C2[C@H](O)C1
InChIInChI=1S/C15H28N2O/c1-15(2)7-11-13(12(18)8-15)14(16)9-5-3-4-6-10(9)17-11/h9-14,17-18H,3-8,16H2,1-2H3/t9?,10?,11?,12-,13?,14?/m1/s1
InChIKeyPOJPUQYHFYTJEA-UOKCHTFLSA-N
MW252.40 g/mol
LogP1.64
Rot. Bonds

About (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol

(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol (PubChem CID 163178155) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol.

Molecular Properties

Compound Name(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol
PubChem CID163178155
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol
SMILESCC1(C)CC2NC3CCCCC3C(N)C2[C@H](O)C1
InChIInChI=1S/C15H28N2O/c1-15(2)7-11-13(12(18)8-15)14(16)9-5-3-4-6-10(9)17-11/h9-14,17-18H,3-8,16H2,1-2H3/t9?,10?,11?,12-,13?,14?/m1/s1
InChIKeyPOJPUQYHFYTJEA-UOKCHTFLSA-N
XLogP1.64
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol?
The IUPAC name of (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol (CID 163178155) is (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol.
What is the SMILES notation for (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol?
The canonical SMILES for (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol is CC1(C)CC2NC3CCCCC3C(N)C2[C@H](O)C1.
What is the InChIKey of (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol?
The InChIKey is POJPUQYHFYTJEA-UOKCHTFLSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)7-11-13(12(18)8-15)14(16)9-5-3-4-6-10(9)17-11/h9-14,17-18H,3-8,16H2,1-2H3/t9?,10?,11?,12-,13?,14?/m1/s1.
What are the key properties of (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol?
(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol is sourced from PubChem (CID 163178155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).