1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane

C12H22N2 — CID 90766101

IUPAC1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C(C)N1CC2(C)CNCC(C)(C1)C2
InChIInChI=1S/C12H22N2/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11/h13H,1,5-9H2,2-4H3
InChIKeyJKWBXBHGQRZGBC-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.84
Rot. Bonds1

About 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane

1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 90766101) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID90766101
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C(C)N1CC2(C)CNCC(C)(C1)C2
InChIInChI=1S/C12H22N2/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11/h13H,1,5-9H2,2-4H3
InChIKeyJKWBXBHGQRZGBC-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 98114726
(1R,5R)-1,5-dimethyl-3-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98114731
1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
CID 592389
1-(3-methylazetidin-3-yl)ethenol
CID 118185509
(1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98114729
3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine
CID 176564084
(1S,5S)-3-benzhydryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 6355536
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one
CID 165439142
ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen
CID 166075553
(1S,5R)-3-acetyl-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 12033482
1,5-dimethyl-3-azabicyclo[3.1.0]hexane
CID 23049859
(4S)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidine
CID 166075509

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane (CID 90766101) is 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane is C=C(C)N1CC2(C)CNCC(C)(C1)C2.
What is the InChIKey of 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is JKWBXBHGQRZGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11/h13H,1,5-9H2,2-4H3.
What are the key properties of 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane?
1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 194.32 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 90766101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).