(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C16H29N3O — CID 79170649

IUPAC(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC1CCC(N)C(C(=O)N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C16H29N3O/c1-11-3-6-15(17)14(9-11)16(20)19-8-7-12-4-5-13(10-19)18(12)2/h11-15H,3-10,17H2,1-2H3
InChIKeySLKMRPSQUQTHQV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.45
Rot. Bonds1

About (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 79170649) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID79170649
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC1CCC(N)C(C(=O)N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C16H29N3O/c1-11-3-6-15(17)14(9-11)16(20)19-8-7-12-4-5-13(10-19)18(12)2/h11-15H,3-10,17H2,1-2H3
InChIKeySLKMRPSQUQTHQV-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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 79170649) is (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CC1CCC(N)C(C(=O)N2CCC3CCC(C2)N3C)C1.
What is the InChIKey of (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is SLKMRPSQUQTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11-3-6-15(17)14(9-11)16(20)19-8-7-12-4-5-13(10-19)18(12)2/h11-15H,3-10,17H2,1-2H3.
What are the key properties of (2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
(2-amino-5-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-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 79170649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).