ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium

C9H20N3+ — CID 57178084

IUPACethyl-(iminomethylideneamino)-di(propan-2-yl)azanium
SMILESCC[N+](N=C=N)(C(C)C)C(C)C
InChIInChI=1S/C9H20N3/c1-6-12(8(2)3,9(4)5)11-7-10/h8-10H,6H2,1-5H3/q+1
InChIKeyOMGMPXQQCACERT-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.31
Rot. Bonds4

About ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium

ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium (PubChem CID 57178084) has the molecular formula C9H20N3+ and a molecular weight of 170.28 g/mol. Its IUPAC name is ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium.

Molecular Properties

Compound Nameethyl-(iminomethylideneamino)-di(propan-2-yl)azanium
PubChem CID57178084
Molecular FormulaC9H20N3+
Molecular Weight170.28 g/mol
Exact Mass170.17
IUPAC Nameethyl-(iminomethylideneamino)-di(propan-2-yl)azanium
SMILESCC[N+](N=C=N)(C(C)C)C(C)C
InChIInChI=1S/C9H20N3/c1-6-12(8(2)3,9(4)5)11-7-10/h8-10H,6H2,1-5H3/q+1
InChIKeyOMGMPXQQCACERT-UHFFFAOYSA-N
XLogP2.31
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium?
The IUPAC name of ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium (CID 57178084) is ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium.
What is the SMILES notation for ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium?
The canonical SMILES for ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium is CC[N+](N=C=N)(C(C)C)C(C)C.
What is the InChIKey of ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium?
The InChIKey is OMGMPXQQCACERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3/c1-6-12(8(2)3,9(4)5)11-7-10/h8-10H,6H2,1-5H3/q+1.
What are the key properties of ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium?
ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium has a molecular weight of 170.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(iminomethylideneamino)-di(propan-2-yl)azanium is sourced from PubChem (CID 57178084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).