7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane

C13H25N — CID 58352776

IUPAC7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane
SMILESCC(C)C1(C(C)C)C2CCNCC1C2
InChIInChI=1S/C13H25N/c1-9(2)13(10(3)4)11-5-6-14-8-12(13)7-11/h9-12,14H,5-8H2,1-4H3
InChIKeyUDGZFMPJANMKIT-UHFFFAOYSA-N
MW195.35 g/mol
LogP2.91
Rot. Bonds2

About 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane

7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane (PubChem CID 58352776) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane.

Molecular Properties

Compound Name7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane
PubChem CID58352776
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane
SMILESCC(C)C1(C(C)C)C2CCNCC1C2
InChIInChI=1S/C13H25N/c1-9(2)13(10(3)4)11-5-6-14-8-12(13)7-11/h9-12,14H,5-8H2,1-4H3
InChIKeyUDGZFMPJANMKIT-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[(3R)-pyrrolidin-3-yl]cyclopropan-1-amine
CID 54264845
8-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 142386523
1-pyrrolidin-3-ylcyclopropan-1-amine;hydrochloride
CID 135392119
3-(1-cyclopropylcyclopentyl)pyrrolidine
CID 83906393
(3S)-3-(1-cyclobutylethyl)pyrrolidine
CID 58803048
3-[1-(trifluoromethyl)cyclopropyl]pyrrolidine
CID 83906289
3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine
CID 115010708
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 164599271
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
3-methyl-4-propan-2-ylpiperidine
CID 58394699

Frequently Asked Questions

What is the IUPAC name of 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane?
The IUPAC name of 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane (CID 58352776) is 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane.
What is the SMILES notation for 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane?
The canonical SMILES for 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane is CC(C)C1(C(C)C)C2CCNCC1C2.
What is the InChIKey of 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane?
The InChIKey is UDGZFMPJANMKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9(2)13(10(3)4)11-5-6-14-8-12(13)7-11/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane?
7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane has a molecular weight of 195.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane is sourced from PubChem (CID 58352776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).