(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C18H32N2O — CID 81486762

IUPAC(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC(C)(C)C1CCC(C(=O)N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C18H32N2O/c1-18(2,3)14-6-4-13(5-7-14)17(21)20-11-10-15-8-9-16(12-20)19-15/h13-16,19H,4-12H2,1-3H3
InChIKeyYUJLXEILQGHIIR-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.19
Rot. Bonds1

About (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 81486762) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID81486762
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC(C)(C)C1CCC(C(=O)N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C18H32N2O/c1-18(2,3)14-6-4-13(5-7-14)17(21)20-11-10-15-8-9-16(12-20)19-15/h13-16,19H,4-12H2,1-3H3
InChIKeyYUJLXEILQGHIIR-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
CID 62717919
1-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119639555
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
1-[1-(4-tert-butylcyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutan-2-one
CID 170668540
tert-butyl (1S,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 98052851
tert-butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545173
2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide
CID 119637051
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181027
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one
CID 81483173
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2,2,2-trifluoroethanone
CID 81482887

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 81486762) is (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CC(C)(C)C1CCC(C(=O)N2CCC3CCC(C2)N3)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is YUJLXEILQGHIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-18(2,3)14-6-4-13(5-7-14)17(21)20-11-10-15-8-9-16(12-20)19-15/h13-16,19H,4-12H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 292.47 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 81486762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).