dimethyl-[(propan-2-ylamino)methylidene]azanium

C6H15N2+ — CID 59747563

IUPACdimethyl-[(propan-2-ylamino)methylidene]azanium
SMILESCC(C)NC=[N+](C)C
InChIInChI=1S/C6H14N2/c1-6(2)7-5-8(3)4/h5-6H,1-4H3/p+1
InChIKeyNCHYGMRFKDUUAI-UHFFFAOYSA-O
MW115.20 g/mol
LogP0.28
Rot. Bonds2

About dimethyl-[(propan-2-ylamino)methylidene]azanium

dimethyl-[(propan-2-ylamino)methylidene]azanium (PubChem CID 59747563) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is dimethyl-[(propan-2-ylamino)methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(propan-2-ylamino)methylidene]azanium
PubChem CID59747563
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Namedimethyl-[(propan-2-ylamino)methylidene]azanium
SMILESCC(C)NC=[N+](C)C
InChIInChI=1S/C6H14N2/c1-6(2)7-5-8(3)4/h5-6H,1-4H3/p+1
InChIKeyNCHYGMRFKDUUAI-UHFFFAOYSA-O
XLogP0.28
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(propan-2-ylamino)methylidene]azanium?
The IUPAC name of dimethyl-[(propan-2-ylamino)methylidene]azanium (CID 59747563) is dimethyl-[(propan-2-ylamino)methylidene]azanium.
What is the SMILES notation for dimethyl-[(propan-2-ylamino)methylidene]azanium?
The canonical SMILES for dimethyl-[(propan-2-ylamino)methylidene]azanium is CC(C)NC=[N+](C)C.
What is the InChIKey of dimethyl-[(propan-2-ylamino)methylidene]azanium?
The InChIKey is NCHYGMRFKDUUAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2/c1-6(2)7-5-8(3)4/h5-6H,1-4H3/p+1.
What are the key properties of dimethyl-[(propan-2-ylamino)methylidene]azanium?
dimethyl-[(propan-2-ylamino)methylidene]azanium has a molecular weight of 115.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(propan-2-ylamino)methylidene]azanium is sourced from PubChem (CID 59747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).