N-butyl-1-pyrrolidin-1-ylmethanimine

C9H18N2 — CID 523928

IUPACN-butyl-1-pyrrolidin-1-ylmethanimine
SMILESCCCC/N=C/N1CCCC1
InChIInChI=1S/C9H18N2/c1-2-3-6-10-9-11-7-4-5-8-11/h9H,2-8H2,1H3/b10-9+
InChIKeyYOPOWBBKUXLRLJ-MDZDMXLPSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds4

About N-butyl-1-pyrrolidin-1-ylmethanimine

N-butyl-1-pyrrolidin-1-ylmethanimine (PubChem CID 523928) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-butyl-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-butyl-1-pyrrolidin-1-ylmethanimine
PubChem CID523928
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-butyl-1-pyrrolidin-1-ylmethanimine
SMILESCCCC/N=C/N1CCCC1
InChIInChI=1S/C9H18N2/c1-2-3-6-10-9-11-7-4-5-8-11/h9H,2-8H2,1H3/b10-9+
InChIKeyYOPOWBBKUXLRLJ-MDZDMXLPSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-butyl-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-butyl-1-pyrrolidin-1-ylmethanimine (CID 523928) is N-butyl-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-butyl-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-butyl-1-pyrrolidin-1-ylmethanimine is CCCC/N=C/N1CCCC1.
What is the InChIKey of N-butyl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is YOPOWBBKUXLRLJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-6-10-9-11-7-4-5-8-11/h9H,2-8H2,1H3/b10-9+.
What are the key properties of N-butyl-1-pyrrolidin-1-ylmethanimine?
N-butyl-1-pyrrolidin-1-ylmethanimine has a molecular weight of 154.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 523928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).