[(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium

C9H18N3+ — CID 142295205

IUPAC[(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium
SMILESC/C(N)=N\C(=[NH2+])C1(C(C)C)CC1
InChIInChI=1S/C9H17N3/c1-6(2)9(4-5-9)8(11)12-7(3)10/h6H,4-5H2,1-3H3,(H3,10,11,12)/p+1
InChIKeyDVNWALGJVLGVFR-UHFFFAOYSA-O
MW168.26 g/mol
LogP-0.04
Rot. Bonds2

About [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium

[(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium (PubChem CID 142295205) has the molecular formula C9H18N3+ and a molecular weight of 168.26 g/mol. Its IUPAC name is [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium.

Molecular Properties

Compound Name[(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium
PubChem CID142295205
Molecular FormulaC9H18N3+
Molecular Weight168.26 g/mol
Exact Mass168.15
IUPAC Name[(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium
SMILESC/C(N)=N\C(=[NH2+])C1(C(C)C)CC1
InChIInChI=1S/C9H17N3/c1-6(2)9(4-5-9)8(11)12-7(3)10/h6H,4-5H2,1-3H3,(H3,10,11,12)/p+1
InChIKeyDVNWALGJVLGVFR-UHFFFAOYSA-O
XLogP-0.04
TPSA63.97 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium?
The IUPAC name of [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium (CID 142295205) is [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium.
What is the SMILES notation for [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium?
The canonical SMILES for [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium is C/C(N)=N\C(=[NH2+])C1(C(C)C)CC1.
What is the InChIKey of [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium?
The InChIKey is DVNWALGJVLGVFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N3/c1-6(2)9(4-5-9)8(11)12-7(3)10/h6H,4-5H2,1-3H3,(H3,10,11,12)/p+1.
What are the key properties of [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium?
[(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium has a molecular weight of 168.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-aminoethylideneamino)-(1-propan-2-ylcyclopropyl)methylidene]azanium is sourced from PubChem (CID 142295205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).