4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine

C17H33N3 — CID 79170174

IUPAC4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCN2CCC3CCC(C2)N3C)CC1
InChIInChI=1S/C17H33N3/c1-14-3-5-15(6-4-14)18-10-12-20-11-9-16-7-8-17(13-20)19(16)2/h14-18H,3-13H2,1-2H3
InChIKeyYICAKMICIGNCTJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds4

About 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine

4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 79170174) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
PubChem CID79170174
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCN2CCC3CCC(C2)N3C)CC1
InChIInChI=1S/C17H33N3/c1-14-3-5-15(6-4-14)18-10-12-20-11-9-16-7-8-17(13-20)19(16)2/h14-18H,3-13H2,1-2H3
InChIKeyYICAKMICIGNCTJ-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine (CID 79170174) is 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine is CC1CCC(NCCN2CCC3CCC(C2)N3C)CC1.
What is the InChIKey of 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is YICAKMICIGNCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-14-3-5-15(6-4-14)18-10-12-20-11-9-16-7-8-17(13-20)19(16)2/h14-18H,3-13H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine?
4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79170174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).