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

C16H33N3 — CID 79170163

IUPAC3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C(C)C)N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H33N3/c1-5-9-17-11-16(13(2)3)19-10-8-14-6-7-15(12-19)18(14)4/h13-17H,5-12H2,1-4H3
InChIKeyYZTFOEPJPJMXDD-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds6

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

3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine (PubChem CID 79170163) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine
PubChem CID79170163
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C(C)C)N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H33N3/c1-5-9-17-11-16(13(2)3)19-10-8-14-6-7-15(12-19)18(14)4/h13-17H,5-12H2,1-4H3
InChIKeyYZTFOEPJPJMXDD-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine with MolForge

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Related Compounds

3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63167252
2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
CID 63621134
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propylbutan-1-amine
CID 62432349
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63167734
2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine
CID 79171044
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 62438112
3-methyl-N-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 62967246
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine
CID 61241600
3-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 43207801
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline
CID 79170317

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine (CID 79170163) is 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine is CCCNCC(C(C)C)N1CCC2CCC(C1)N2C.
What is the InChIKey of 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine?
The InChIKey is YZTFOEPJPJMXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-9-17-11-16(13(2)3)19-10-8-14-6-7-15(12-19)18(14)4/h13-17H,5-12H2,1-4H3.
What are the key properties of 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine?
3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 79170163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).