N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine

C10H18N2 — CID 43121520

IUPACN-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1CC1NC1CN2CCC1CC2
InChIInChI=1S/C10H18N2/c1-2-9(1)11-10-7-12-5-3-8(10)4-6-12/h8-11H,1-7H2
InChIKeyBGHAYKTWSUNIJA-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.83
Rot. Bonds2

About N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine

N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43121520) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43121520
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1CC1NC1CN2CCC1CC2
InChIInChI=1S/C10H18N2/c1-2-9(1)11-10-7-12-5-3-8(10)4-6-12/h8-11H,1-7H2
InChIKeyBGHAYKTWSUNIJA-UHFFFAOYSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195000
N-cyclopropyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105363554
N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80692543
1-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 43747838
N-(1-azabicyclo[2.2.2]octan-3-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472361
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43763480
5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one
CID 63663308
N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195015
N-(5,5-dimethylthian-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 79956040
4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid
CID 105366142
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80714777
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43728865

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine (CID 43121520) is N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine is C1CC1NC1CN2CCC1CC2.
What is the InChIKey of N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is BGHAYKTWSUNIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-9(1)11-10-7-12-5-3-8(10)4-6-12/h8-11H,1-7H2.
What are the key properties of N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine?
N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 166.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43121520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).