[(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol

C8H16N2O2 — CID 123380799

IUPAC[(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N=C1CC1N
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5,7,11H,4,9H2,1-3H3
InChIKeyNJCXONOAOUIPFK-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.25
Rot. Bonds2

About [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol

[(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 123380799) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID123380799
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name[(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N=C1CC1N
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5,7,11H,4,9H2,1-3H3
InChIKeyNJCXONOAOUIPFK-UHFFFAOYSA-N
XLogP0.25
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol (CID 123380799) is [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)N=C1CC1N.
What is the InChIKey of [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is NJCXONOAOUIPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5,7,11H,4,9H2,1-3H3.
What are the key properties of [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol?
[(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 172.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 123380799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).