2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane

C16H30N2 — CID 123885997

IUPAC2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane
SMILESCCCC1CN2CCCN3CCCCCCC1C32
InChIInChI=1S/C16H30N2/c1-2-8-14-13-18-12-7-11-17-10-6-4-3-5-9-15(14)16(17)18/h14-16H,2-13H2,1H3
InChIKeyJVLRRYMHXUHOSV-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.33
Rot. Bonds2

About 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane

2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane (PubChem CID 123885997) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane.

Molecular Properties

Compound Name2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane
PubChem CID123885997
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane
SMILESCCCC1CN2CCCN3CCCCCCC1C32
InChIInChI=1S/C16H30N2/c1-2-8-14-13-18-12-7-11-17-10-6-4-3-5-9-15(14)16(17)18/h14-16H,2-13H2,1H3
InChIKeyJVLRRYMHXUHOSV-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.33
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-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethylpropan-1-amine
CID 67775228
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
5-Butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine
CID 123197448
2-(2-Methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane
CID 123474050
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
2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
CID 164737578
2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 166996500
(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-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane?
The IUPAC name of 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane (CID 123885997) is 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane.
What is the SMILES notation for 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane?
The canonical SMILES for 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane is CCCC1CN2CCCN3CCCCCCC1C32.
What is the InChIKey of 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane?
The InChIKey is JVLRRYMHXUHOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-8-14-13-18-12-7-11-17-10-6-4-3-5-9-15(14)16(17)18/h14-16H,2-13H2,1H3.
What are the key properties of 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane?
2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane has a molecular weight of 250.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4,8-diazatricyclo[6.6.1.04,15]pentadecane is sourced from PubChem (CID 123885997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).