N-(2-imidazolidin-1-ylethyl)methanimine

C6H13N3 — CID 146324995

IUPACN-(2-imidazolidin-1-ylethyl)methanimine
SMILESC=NCCN1CCNC1
InChIInChI=1S/C6H13N3/c1-7-2-4-9-5-3-8-6-9/h8H,1-6H2
InChIKeyYQOSHLKOZWLFER-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.45
Rot. Bonds3

About N-(2-imidazolidin-1-ylethyl)methanimine

N-(2-imidazolidin-1-ylethyl)methanimine (PubChem CID 146324995) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(2-imidazolidin-1-ylethyl)methanimine.

Molecular Properties

Compound NameN-(2-imidazolidin-1-ylethyl)methanimine
PubChem CID146324995
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-(2-imidazolidin-1-ylethyl)methanimine
SMILESC=NCCN1CCNC1
InChIInChI=1S/C6H13N3/c1-7-2-4-9-5-3-8-6-9/h8H,1-6H2
InChIKeyYQOSHLKOZWLFER-UHFFFAOYSA-N
XLogP-0.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazolidin-1-ylethyl)methanimine?
The IUPAC name of N-(2-imidazolidin-1-ylethyl)methanimine (CID 146324995) is N-(2-imidazolidin-1-ylethyl)methanimine.
What is the SMILES notation for N-(2-imidazolidin-1-ylethyl)methanimine?
The canonical SMILES for N-(2-imidazolidin-1-ylethyl)methanimine is C=NCCN1CCNC1.
What is the InChIKey of N-(2-imidazolidin-1-ylethyl)methanimine?
The InChIKey is YQOSHLKOZWLFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-7-2-4-9-5-3-8-6-9/h8H,1-6H2.
What are the key properties of N-(2-imidazolidin-1-ylethyl)methanimine?
N-(2-imidazolidin-1-ylethyl)methanimine has a molecular weight of 127.19 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazolidin-1-ylethyl)methanimine is sourced from PubChem (CID 146324995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).