N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

C14H27N3 — CID 61471660

IUPACN-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(CN1CCCC1)NC1CN2CCC1CC2
InChIInChI=1S/C14H27N3/c1-12(10-16-6-2-3-7-16)15-14-11-17-8-4-13(14)5-9-17/h12-15H,2-11H2,1H3
InChIKeyMABMVZVULNODHO-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.15
Rot. Bonds4

About N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 61471660) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID61471660
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(CN1CCCC1)NC1CN2CCC1CC2
InChIInChI=1S/C14H27N3/c1-12(10-16-6-2-3-7-16)15-14-11-17-8-4-13(14)5-9-17/h12-15H,2-11H2,1H3
InChIKeyMABMVZVULNODHO-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 43195141
N-(1-pyrrolidin-1-ylpropan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853044
2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103247689
N-[(1S)-1-cycloheptylethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 81388433
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-propan-2-ylpropanamide
CID 43084857
N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364641
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 104860074
N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364511
(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol
CID 104868776
2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 79540645
1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
CID 54953008

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 61471660) is N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is CC(CN1CCCC1)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is MABMVZVULNODHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(10-16-6-2-3-7-16)15-14-11-17-8-4-13(14)5-9-17/h12-15H,2-11H2,1H3.
What are the key properties of N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 61471660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).