4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane

C11H20N2 — CID 139548143

IUPAC4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane
SMILESCC1NC2CN(C(C)C)CC23CC13
InChIInChI=1S/C11H20N2/c1-7(2)13-5-10-11(6-13)4-9(11)8(3)12-10/h7-10,12H,4-6H2,1-3H3
InChIKeyAXNZXNMVGHJKOX-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane

4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane (PubChem CID 139548143) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane.

Molecular Properties

Compound Name4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane
PubChem CID139548143
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane
SMILESCC1NC2CN(C(C)C)CC23CC13
InChIInChI=1S/C11H20N2/c1-7(2)13-5-10-11(6-13)4-9(11)8(3)12-10/h7-10,12H,4-6H2,1-3H3
InChIKeyAXNZXNMVGHJKOX-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 155392390
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 176594070
(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 153498477
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 170055588
3,4,4,5-tetramethyl-1-propan-2-ylpiperidine
CID 121288182
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368
(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 129088215
(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine
CID 157420520
5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
CID 174171326
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
CID 146675589

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane?
The IUPAC name of 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane (CID 139548143) is 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane.
What is the SMILES notation for 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane?
The canonical SMILES for 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane is CC1NC2CN(C(C)C)CC23CC13.
What is the InChIKey of 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane?
The InChIKey is AXNZXNMVGHJKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-7(2)13-5-10-11(6-13)4-9(11)8(3)12-10/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane?
4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane is sourced from PubChem (CID 139548143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).