(1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine

C14H26N2O — CID 116780141

IUPAC(1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(OCC)CCCCCC1
InChIInChI=1S/C14H26N2O/c1-2-17-14(9-5-3-4-6-10-14)13(15)16-11-7-8-12-16/h15H,2-12H2,1H3/b15-13-
InChIKeyFOLQJAHYPLNXRC-SQFISAMPSA-N
MW238.37 g/mol
LogP3.19
Rot. Bonds3

About (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine

(1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine (PubChem CID 116780141) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine
PubChem CID116780141
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(OCC)CCCCCC1
InChIInChI=1S/C14H26N2O/c1-2-17-14(9-5-3-4-6-10-14)13(15)16-11-7-8-12-16/h15H,2-12H2,1H3/b15-13-
InChIKeyFOLQJAHYPLNXRC-SQFISAMPSA-N
XLogP3.19
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine (CID 116780141) is (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)C1(OCC)CCCCCC1.
What is the InChIKey of (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine?
The InChIKey is FOLQJAHYPLNXRC-SQFISAMPSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-17-14(9-5-3-4-6-10-14)13(15)16-11-7-8-12-16/h15H,2-12H2,1H3/b15-13-.
What are the key properties of (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine?
(1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine has a molecular weight of 238.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycycloheptyl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 116780141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).