(E)-1-isocyano-N,N-dimethylprop-1-en-2-amine

C6H10N2 — CID 59297072

IUPAC(E)-1-isocyano-N,N-dimethylprop-1-en-2-amine
SMILES[C-]#[N+]/C=C(\C)N(C)C
InChIInChI=1S/C6H10N2/c1-6(5-7-2)8(3)4/h5H,1,3-4H3/b6-5+
InChIKeyJZEMCRVQPURLJZ-AATRIKPKSA-N
MW110.16 g/mol
LogP1.33
Rot. Bonds1

About (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine

(E)-1-isocyano-N,N-dimethylprop-1-en-2-amine (PubChem CID 59297072) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-isocyano-N,N-dimethylprop-1-en-2-amine
PubChem CID59297072
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(E)-1-isocyano-N,N-dimethylprop-1-en-2-amine
SMILES[C-]#[N+]/C=C(\C)N(C)C
InChIInChI=1S/C6H10N2/c1-6(5-7-2)8(3)4/h5H,1,3-4H3/b6-5+
InChIKeyJZEMCRVQPURLJZ-AATRIKPKSA-N
XLogP1.33
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine?
The IUPAC name of (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine (CID 59297072) is (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine?
The canonical SMILES for (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine is [C-]#[N+]/C=C(\C)N(C)C.
What is the InChIKey of (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine?
The InChIKey is JZEMCRVQPURLJZ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(5-7-2)8(3)4/h5H,1,3-4H3/b6-5+.
What are the key properties of (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine?
(E)-1-isocyano-N,N-dimethylprop-1-en-2-amine has a molecular weight of 110.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-isocyano-N,N-dimethylprop-1-en-2-amine is sourced from PubChem (CID 59297072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).