(2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C16H29N3O — CID 79170139

IUPAC(2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC1CCCC(N)C1C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H29N3O/c1-11-4-3-5-14(17)15(11)16(20)19-9-8-12-6-7-13(10-19)18(12)2/h11-15H,3-10,17H2,1-2H3
InChIKeyUWSZNCFSCORRJC-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.45
Rot. Bonds1

About (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

(2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 79170139) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID79170139
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC1CCCC(N)C1C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H29N3O/c1-11-4-3-5-14(17)15(11)16(20)19-9-8-12-6-7-13(10-19)18(12)2/h11-15H,3-10,17H2,1-2H3
InChIKeyUWSZNCFSCORRJC-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone with MolForge

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Related Compounds

7-(2-amino-6-methylcyclohexanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096310
(2-amino-6-methylcyclohexyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 62782054
(2-amino-6-methylcyclohexyl)-(4-methoxypiperidin-1-yl)methanone
CID 62781343
(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170649
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 95933340
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901253
(2-amino-6-methylcyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 55160462
1-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]prop-2-en-1-one
CID 124671083
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
[(1S)-2,2-dichlorocyclopropyl]-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 129422315

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 79170139) is (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CC1CCCC(N)C1C(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is UWSZNCFSCORRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11-4-3-5-14(17)15(11)16(20)19-9-8-12-6-7-13(10-19)18(12)2/h11-15H,3-10,17H2,1-2H3.
What are the key properties of (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
(2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 79170139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).