[3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium

C9H17N2O+ — CID 163551557

IUPAC[3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium
SMILESCCC1(COC(N)=CC=[NH2+])CC1
InChIInChI=1S/C9H16N2O/c1-2-9(4-5-9)7-12-8(11)3-6-10/h3,6,10H,2,4-5,7,11H2,1H3/p+1
InChIKeyFFZPAPZKHCPFJH-UHFFFAOYSA-O
MW169.25 g/mol
LogP-0.18
Rot. Bonds5

About [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium

[3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium (PubChem CID 163551557) has the molecular formula C9H17N2O+ and a molecular weight of 169.25 g/mol. Its IUPAC name is [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium.

Molecular Properties

Compound Name[3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium
PubChem CID163551557
Molecular FormulaC9H17N2O+
Molecular Weight169.25 g/mol
Exact Mass169.13
IUPAC Name[3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium
SMILESCCC1(COC(N)=CC=[NH2+])CC1
InChIInChI=1S/C9H16N2O/c1-2-9(4-5-9)7-12-8(11)3-6-10/h3,6,10H,2,4-5,7,11H2,1H3/p+1
InChIKeyFFZPAPZKHCPFJH-UHFFFAOYSA-O
XLogP-0.18
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium?
The IUPAC name of [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium (CID 163551557) is [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium.
What is the SMILES notation for [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium?
The canonical SMILES for [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium is CCC1(COC(N)=CC=[NH2+])CC1.
What is the InChIKey of [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium?
The InChIKey is FFZPAPZKHCPFJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2O/c1-2-9(4-5-9)7-12-8(11)3-6-10/h3,6,10H,2,4-5,7,11H2,1H3/p+1.
What are the key properties of [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium?
[3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium has a molecular weight of 169.25 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-3-[(1-ethylcyclopropyl)methoxy]prop-2-enylidene]azanium is sourced from PubChem (CID 163551557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).