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

C16H33N3 — CID 79171044

IUPAC2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H33N3/c1-6-16(3,4)17-11-13(2)19-10-9-14-7-8-15(12-19)18(14)5/h13-15,17H,6-12H2,1-5H3
InChIKeyQUGVEGWPCLENQF-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds5

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

2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine (PubChem CID 79171044) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine
PubChem CID79171044
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H33N3/c1-6-16(3,4)17-11-13(2)19-10-9-14-7-8-15(12-19)18(14)5/h13-15,17H,6-12H2,1-5H3
InChIKeyQUGVEGWPCLENQF-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine
CID 62556778
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline
CID 79170317
3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine
CID 79170163
2-methyl-N-(2-morpholin-4-ylpropyl)butan-2-amine
CID 62556601
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine
CID 65286965
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 55087459
1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 115475429
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
CID 79174299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine (CID 79171044) is 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine is CCC(C)(C)NCC(C)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine?
The InChIKey is QUGVEGWPCLENQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-16(3,4)17-11-13(2)19-10-9-14-7-8-15(12-19)18(14)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine?
2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine is sourced from PubChem (CID 79171044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).