2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane

C17H32N2 — CID 123474050

IUPAC2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane
SMILESCC(C)CC1CN2CCCN3CCCCCCC1C32
InChIInChI=1S/C17H32N2/c1-14(2)12-15-13-19-11-7-10-18-9-6-4-3-5-8-16(15)17(18)19/h14-17H,3-13H2,1-2H3
InChIKeyJAIGWKOSJDMJLF-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.58
Rot. Bonds2

About 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane

2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane (PubChem CID 123474050) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane.

Molecular Properties

Compound Name2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane
PubChem CID123474050
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane
SMILESCC(C)CC1CN2CCCN3CCCCCCC1C32
InChIInChI=1S/C17H32N2/c1-14(2)12-15-13-19-11-7-10-18-9-6-4-3-5-8-16(15)17(18)19/h14-17H,3-13H2,1-2H3
InChIKeyJAIGWKOSJDMJLF-UHFFFAOYSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,7-dimethyloctyl)-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 85550805
1,7-dimethyl-3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine
CID 68336757
5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 70916937
3-Propyl-1,11-diazabicyclo[9.3.1]pentadecane
CID 118221169
5-Butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine
CID 123197448
2-Propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane
CID 123885997
3-Cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine
CID 130220296
2-Tert-butyl-1-(2-cyclohexylethyl)-4,4-diethyl-7-methyl-2,3,3a,5,6,7a-hexahydropyrrolo[2,3-b]pyridine
CID 156293999
1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163871953
2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
CID 164737578
(19R)-19-methyl-11-propan-2-yl-1,10-diazatricyclo[10.6.1.02,10]nonadecane
CID 169909791
(19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane
CID 170059494

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane?
The IUPAC name of 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane (CID 123474050) is 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane.
What is the SMILES notation for 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane?
The canonical SMILES for 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane is CC(C)CC1CN2CCCN3CCCCCCC1C32.
What is the InChIKey of 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane?
The InChIKey is JAIGWKOSJDMJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-14(2)12-15-13-19-11-7-10-18-9-6-4-3-5-8-16(15)17(18)19/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane?
2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane has a molecular weight of 264.46 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane is sourced from PubChem (CID 123474050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).