imidazolidine-2,2-diamine

C3H10N4 — CID 174393612

IUPACimidazolidine-2,2-diamine
SMILESNC1(N)NCCN1
InChIInChI=1S/C3H10N4/c4-3(5)6-1-2-7-3/h6-7H,1-2,4-5H2
InChIKeyJTVCARUUZARVDQ-UHFFFAOYSA-N
MW102.14 g/mol
LogP-2.29
Rot. Bonds

About imidazolidine-2,2-diamine

imidazolidine-2,2-diamine (PubChem CID 174393612) has the molecular formula C3H10N4 and a molecular weight of 102.14 g/mol. Its IUPAC name is imidazolidine-2,2-diamine.

Molecular Properties

Compound Nameimidazolidine-2,2-diamine
PubChem CID174393612
Molecular FormulaC3H10N4
Molecular Weight102.14 g/mol
Exact Mass102.09
IUPAC Nameimidazolidine-2,2-diamine
SMILESNC1(N)NCCN1
InChIInChI=1S/C3H10N4/c4-3(5)6-1-2-7-3/h6-7H,1-2,4-5H2
InChIKeyJTVCARUUZARVDQ-UHFFFAOYSA-N
XLogP-2.29
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,2-diamine?
The IUPAC name of imidazolidine-2,2-diamine (CID 174393612) is imidazolidine-2,2-diamine.
What is the SMILES notation for imidazolidine-2,2-diamine?
The canonical SMILES for imidazolidine-2,2-diamine is NC1(N)NCCN1.
What is the InChIKey of imidazolidine-2,2-diamine?
The InChIKey is JTVCARUUZARVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4/c4-3(5)6-1-2-7-3/h6-7H,1-2,4-5H2.
What are the key properties of imidazolidine-2,2-diamine?
imidazolidine-2,2-diamine has a molecular weight of 102.14 g/mol, XLogP of -2.29, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,2-diamine is sourced from PubChem (CID 174393612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).