2-imidazolidin-4-ylethanamine

C5H13N3 — CID 42626764

IUPAC2-imidazolidin-4-ylethanamine
SMILESNCCC1CNCN1
InChIInChI=1S/C5H13N3/c6-2-1-5-3-7-4-8-5/h5,7-8H,1-4,6H2
InChIKeyCSYYUXVOGZFCEC-UHFFFAOYSA-N
MW115.18 g/mol
LogP-1.15
Rot. Bonds2

About 2-imidazolidin-4-ylethanamine

2-imidazolidin-4-ylethanamine (PubChem CID 42626764) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-imidazolidin-4-ylethanamine.

Molecular Properties

Compound Name2-imidazolidin-4-ylethanamine
PubChem CID42626764
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name2-imidazolidin-4-ylethanamine
SMILESNCCC1CNCN1
InChIInChI=1S/C5H13N3/c6-2-1-5-3-7-4-8-5/h5,7-8H,1-4,6H2
InChIKeyCSYYUXVOGZFCEC-UHFFFAOYSA-N
XLogP-1.15
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-4-ylethanamine?
The IUPAC name of 2-imidazolidin-4-ylethanamine (CID 42626764) is 2-imidazolidin-4-ylethanamine.
What is the SMILES notation for 2-imidazolidin-4-ylethanamine?
The canonical SMILES for 2-imidazolidin-4-ylethanamine is NCCC1CNCN1.
What is the InChIKey of 2-imidazolidin-4-ylethanamine?
The InChIKey is CSYYUXVOGZFCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c6-2-1-5-3-7-4-8-5/h5,7-8H,1-4,6H2.
What are the key properties of 2-imidazolidin-4-ylethanamine?
2-imidazolidin-4-ylethanamine has a molecular weight of 115.18 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-4-ylethanamine is sourced from PubChem (CID 42626764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).