3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane

C15H22N2 — CID 170442503

IUPAC3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)c1ccc(N2CC3CCC(C2)N3)cc1
InChIInChI=1S/C15H22N2/c1-11(2)12-3-7-15(8-4-12)17-9-13-5-6-14(10-17)16-13/h3-4,7-8,11,13-14,16H,5-6,9-10H2,1-2H3
InChIKeyPNSSRGVRYVHABL-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.75
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane

3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 170442503) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID170442503
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)c1ccc(N2CC3CCC(C2)N3)cc1
InChIInChI=1S/C15H22N2/c1-11(2)12-3-7-15(8-4-12)17-9-13-5-6-14(10-17)16-13/h3-4,7-8,11,13-14,16H,5-6,9-10H2,1-2H3
InChIKeyPNSSRGVRYVHABL-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane 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

2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121262109
1-(4-propan-2-ylphenyl)azetidin-3-amine
CID 117002806
3-fluoro-1-(4-propan-2-ylphenyl)azetidine
CID 155453609
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
CID 164952945
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656
4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)aniline
CID 84771248
3-(4-bromophenyl)-3,9-diazabicyclo[3.3.1]nonane
CID 24742893
2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethynyl-trimethylsilane
CID 159647124
3-butyl-1-(4-propan-2-ylphenyl)azetidine
CID 178164726
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(4-propan-2-ylphenyl)butan-1-one
CID 119635935
3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 170569720

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane (CID 170442503) is 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane is CC(C)c1ccc(N2CC3CCC(C2)N3)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is PNSSRGVRYVHABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)12-3-7-15(8-4-12)17-9-13-5-6-14(10-17)16-13/h3-4,7-8,11,13-14,16H,5-6,9-10H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane?
3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 230.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 170442503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).