3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane

C12H22N2 — CID 177029020

IUPAC3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESC=C(C)N1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C12H22N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4/h9,11-12H,3,5-8H2,1-2,4H3
InChIKeyPSZHRFYULVWONI-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.08
Rot. Bonds2

About 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane

3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 177029020) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID177029020
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESC=C(C)N1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C12H22N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4/h9,11-12H,3,5-8H2,1-2,4H3
InChIKeyPSZHRFYULVWONI-UHFFFAOYSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)aziridine-2-carboxylate
CID 170055220
8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 168740580
tert-butyl 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;trihydrochloride
CID 165084939
1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 137444403
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444448
(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1H-pyrrol-3-yl)methanone
CID 131684068
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506569
cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506567
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
CID 98053860

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 177029020) is 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane is C=C(C)N1C2CCC1CN(C(C)C)C2.
What is the InChIKey of 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is PSZHRFYULVWONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4/h9,11-12H,3,5-8H2,1-2,4H3.
What are the key properties of 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane?
3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 194.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 177029020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).