[amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium

C11H14N3+ — CID 154623196

IUPAC[amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium
SMILESN/C(NC1=CC=CC1)=[NH+]\C1=CC=CC1
InChIInChI=1S/C11H13N3/c12-11(13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-5,7H,6,8H2,(H3,12,13,14)/p+1
InChIKeyKGBVYWXYZQCAGE-UHFFFAOYSA-O
MW188.25 g/mol
LogP-0.34
Rot. Bonds2

About [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium

[amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium (PubChem CID 154623196) has the molecular formula C11H14N3+ and a molecular weight of 188.25 g/mol. Its IUPAC name is [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium.

Molecular Properties

Compound Name[amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium
PubChem CID154623196
Molecular FormulaC11H14N3+
Molecular Weight188.25 g/mol
Exact Mass188.12
IUPAC Name[amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium
SMILESN/C(NC1=CC=CC1)=[NH+]\C1=CC=CC1
InChIInChI=1S/C11H13N3/c12-11(13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-5,7H,6,8H2,(H3,12,13,14)/p+1
InChIKeyKGBVYWXYZQCAGE-UHFFFAOYSA-O
XLogP-0.34
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium
CID 164793032
N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide
CID 164793033
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
CID 145203945
1,2-Di(cyclopenta-1,3-dien-1-yl)guanidine
CID 154623197
1-[Amino-(cyclopenta-1,4-dien-1-ylamino)methylidene]-2-methylguanidine
CID 157078723
1-Cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine
CID 157078724

Frequently Asked Questions

What is the IUPAC name of [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium?
The IUPAC name of [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium (CID 154623196) is [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium.
What is the SMILES notation for [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium?
The canonical SMILES for [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium is N/C(NC1=CC=CC1)=[NH+]\C1=CC=CC1.
What is the InChIKey of [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium?
The InChIKey is KGBVYWXYZQCAGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13N3/c12-11(13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-5,7H,6,8H2,(H3,12,13,14)/p+1.
What are the key properties of [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium?
[amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium has a molecular weight of 188.25 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium is sourced from PubChem (CID 154623196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).