2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine

C9H17N3 — CID 131071424

IUPAC2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/CN1CCC1)N1CCCC1
InChIInChI=1S/C9H17N3/c10-9(8-11-4-3-5-11)12-6-1-2-7-12/h10H,1-8H2/b10-9-
InChIKeyXFXDQRUJYYROSE-KTKRTIGZSA-N
MW167.26 g/mol
LogP0.77
Rot. Bonds2

About 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine

2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine (PubChem CID 131071424) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine
PubChem CID131071424
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/CN1CCC1)N1CCCC1
InChIInChI=1S/C9H17N3/c10-9(8-11-4-3-5-11)12-6-1-2-7-12/h10H,1-8H2/b10-9-
InChIKeyXFXDQRUJYYROSE-KTKRTIGZSA-N
XLogP0.77
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-1-yl)-1-morpholin-4-ylethanimine
CID 130706300
1-(4-ethyl-1,4-diazepan-1-yl)propan-1-imine
CID 130645559
1,14-di(piperidin-1-yl)tetradecane-1,14-diimine
CID 24740523
N,N-dimethyl-2-piperidin-1-ylethanimidamide
CID 126985949
2-(4-butanimidoyl-1,4-diazepan-1-yl)ethanol
CID 107226623
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine
CID 63179471
3-(2,2-difluoroethoxy)-1-pyrrolidin-1-ylpropan-1-imine
CID 103150906
pyrrolidine-1-carboximidoyl bromide
CID 14042534
1-(4,4-dimethylazepan-1-yl)propan-1-imine
CID 65286991
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanimine
CID 66153926

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine?
The IUPAC name of 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine (CID 131071424) is 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine is [H]/N=C(/CN1CCC1)N1CCCC1.
What is the InChIKey of 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine?
The InChIKey is XFXDQRUJYYROSE-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17N3/c10-9(8-11-4-3-5-11)12-6-1-2-7-12/h10H,1-8H2/b10-9-.
What are the key properties of 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine?
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine has a molecular weight of 167.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 131071424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).