9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one

C19H34N2O — CID 163169850

IUPAC9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one
SMILESCCCCNC1C2CCCCC2NC2CC(C)(C)CC(=O)C21
InChIInChI=1S/C19H34N2O/c1-4-5-10-20-18-13-8-6-7-9-14(13)21-15-11-19(2,3)12-16(22)17(15)18/h13-15,17-18,20-21H,4-12H2,1-3H3
InChIKeyAZNIXMODERNUQH-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.28
Rot. Bonds4

About 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one

9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one (PubChem CID 163169850) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one.

Molecular Properties

Compound Name9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one
PubChem CID163169850
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one
SMILESCCCCNC1C2CCCCC2NC2CC(C)(C)CC(=O)C21
InChIInChI=1S/C19H34N2O/c1-4-5-10-20-18-13-8-6-7-9-14(13)21-15-11-19(2,3)12-16(22)17(15)18/h13-15,17-18,20-21H,4-12H2,1-3H3
InChIKeyAZNIXMODERNUQH-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one with MolForge

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Related Compounds

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N-hexyl-2-piperidin-2-ylcyclopentan-1-amine
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N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
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N-butylcyclohexanamine;molecular hydrogen
CID 143047743
6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione
CID 154171176
(1R,2S,3R,4R)-3-(butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 98129574
N-butyl-2,2-dimethylcyclopropan-1-amine
CID 61223200
N-butyl-2,2,7,7-tetramethylazepan-4-amine
CID 138568123
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
5-(butylamino)-1-methylpiperidin-2-one
CID 64655124
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822

Frequently Asked Questions

What is the IUPAC name of 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one?
The IUPAC name of 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one (CID 163169850) is 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one.
What is the SMILES notation for 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one?
The canonical SMILES for 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one is CCCCNC1C2CCCCC2NC2CC(C)(C)CC(=O)C21.
What is the InChIKey of 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one?
The InChIKey is AZNIXMODERNUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-4-5-10-20-18-13-8-6-7-9-14(13)21-15-11-19(2,3)12-16(22)17(15)18/h13-15,17-18,20-21H,4-12H2,1-3H3.
What are the key properties of 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one?
9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one has a molecular weight of 306.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one is sourced from PubChem (CID 163169850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).