2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane

C11H19N — CID 130642314

IUPAC2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane
SMILESCC(C)C1C2CC3CNC1C3C2
InChIInChI=1S/C11H19N/c1-6(2)10-7-3-8-5-12-11(10)9(8)4-7/h6-12H,3-5H2,1-2H3
InChIKeySDCDDUSCZRQWPD-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.89
Rot. Bonds1

About 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane

2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane (PubChem CID 130642314) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane
PubChem CID130642314
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane
SMILESCC(C)C1C2CC3CNC1C3C2
InChIInChI=1S/C11H19N/c1-6(2)10-7-3-8-5-12-11(10)9(8)4-7/h6-12H,3-5H2,1-2H3
InChIKeySDCDDUSCZRQWPD-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yltricyclo[3.1.1.12,4]octane
CID 176821598
1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol
CID 171035054
2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane
CID 112747563
2-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxy)pentanoic acid
CID 112747564
2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane
CID 112747579
(2R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 87354624
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 89128835
2-azabicyclo[2.2.1]heptane-6,7-diamine
CID 175778826
(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 176801726
(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
CID 168806834
(3S,4aS,8aS)-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 59913049
5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane
CID 131059636

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane (CID 130642314) is 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane is CC(C)C1C2CC3CNC1C3C2.
What is the InChIKey of 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane?
The InChIKey is SDCDDUSCZRQWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6(2)10-7-3-8-5-12-11(10)9(8)4-7/h6-12H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane?
2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane has a molecular weight of 165.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 130642314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).