3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline

C16H25N3 — CID 170327194

IUPAC3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline
SMILESCc1cc(N)ccc1N1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C16H25N3/c1-11(2)19-14-5-6-15(19)10-18(9-14)16-7-4-13(17)8-12(16)3/h4,7-8,11,14-15H,5-6,9-10,17H2,1-3H3
InChIKeyPATNZTQSULTEOH-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.64
Rot. Bonds2

About 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline

3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline (PubChem CID 170327194) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline.

Molecular Properties

Compound Name3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline
PubChem CID170327194
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline
SMILESCc1cc(N)ccc1N1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C16H25N3/c1-11(2)19-14-5-6-15(19)10-18(9-14)16-7-4-13(17)8-12(16)3/h4,7-8,11,14-15H,5-6,9-10,17H2,1-3H3
InChIKeyPATNZTQSULTEOH-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline 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

4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
4-[4-(azetidin-1-yl)piperidin-1-yl]-3-methylaniline
CID 142621533
4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 175516280
4-(3-ethylpiperidin-1-yl)-3-methylaniline
CID 43584157
1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid
CID 69043416
3-methyl-4-[5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]aniline
CID 170046178
3-methyl-4-morpholin-4-ylaniline
CID 10607787
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 75423484
4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline
CID 63160515
4-methyl-3-(3-methylazetidin-1-yl)aniline
CID 79689322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline?
The IUPAC name of 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline (CID 170327194) is 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline.
What is the SMILES notation for 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline?
The canonical SMILES for 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline is Cc1cc(N)ccc1N1CC2CCC(C1)N2C(C)C.
What is the InChIKey of 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline?
The InChIKey is PATNZTQSULTEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)19-14-5-6-15(19)10-18(9-14)16-7-4-13(17)8-12(16)3/h4,7-8,11,14-15H,5-6,9-10,17H2,1-3H3.
What are the key properties of 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline?
3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline has a molecular weight of 259.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline is sourced from PubChem (CID 170327194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).