6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one

C15H29N3O — CID 79171040

IUPAC6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one
SMILESCC(CCN)CCC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H29N3O/c1-12(7-9-16)3-6-15(19)18-10-8-13-4-5-14(11-18)17(13)2/h12-14H,3-11,16H2,1-2H3
InChIKeyZRAHRSZNYAQKFO-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds5

About 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one

6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one (PubChem CID 79171040) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one
PubChem CID79171040
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one
SMILESCC(CCN)CCC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H29N3O/c1-12(7-9-16)3-6-15(19)18-10-8-13-4-5-14(11-18)17(13)2/h12-14H,3-11,16H2,1-2H3
InChIKeyZRAHRSZNYAQKFO-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one 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

6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
CID 107217188
6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
CID 81199611
5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
CID 79209523
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one
CID 107219338
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114408800
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
3-chloro-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79174324
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(prop-2-enylamino)ethanone
CID 79278808

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one?
The IUPAC name of 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one (CID 79171040) is 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one?
The canonical SMILES for 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one is CC(CCN)CCC(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one?
The InChIKey is ZRAHRSZNYAQKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(7-9-16)3-6-15(19)18-10-8-13-4-5-14(11-18)17(13)2/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one?
6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one is sourced from PubChem (CID 79171040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).