(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

C16H28N2O — CID 95933340

IUPAC(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1
InChIInChI=1S/C16H28N2O/c1-12-3-5-13(6-4-12)16(19)18-10-9-14-7-8-15(11-18)17(14)2/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15+/m1/s1
InChIKeyBCWVSLNLXCNFTD-CVSAEHQPSA-N
MW264.41 g/mol
LogP2.51
Rot. Bonds1

About (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (PubChem CID 95933340) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
PubChem CID95933340
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1
InChIInChI=1S/C16H28N2O/c1-12-3-5-13(6-4-12)16(19)18-10-9-14-7-8-15(11-18)17(14)2/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15+/m1/s1
InChIKeyBCWVSLNLXCNFTD-CVSAEHQPSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone with MolForge

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Related Compounds

(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
[(1S)-2,2-dichlorocyclopropyl]-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 129422315
(1S,6R)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 104962540
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79384116
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
(2-amino-6-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170139
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901253
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
1-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]prop-2-en-1-one
CID 124671083

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (CID 95933340) is (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is CC1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The InChIKey is BCWVSLNLXCNFTD-CVSAEHQPSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-3-5-13(6-4-12)16(19)18-10-9-14-7-8-15(11-18)17(14)2/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15+/m1/s1.
What are the key properties of (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone has a molecular weight of 264.41 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is sourced from PubChem (CID 95933340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).