2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide

C10H19IN4O — CID 111093408

IUPAC2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide
SMILESC#CCNC(=O)CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C10H18N4O.HI/c1-6-7-11-9(15)8-12-10(13(2)3)14(4)5;/h1H,7-8H2,2-5H3,(H,11,15);1H
InChIKeyIFGAOUKLCMGJBU-UHFFFAOYSA-N
MW338.19 g/mol
LogP-0.17
Rot. Bonds3

About 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide

2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide (PubChem CID 111093408) has the molecular formula C10H19IN4O and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide
PubChem CID111093408
Molecular FormulaC10H19IN4O
Molecular Weight338.19 g/mol
Exact Mass338.06
IUPAC Name2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide
SMILESC#CCNC(=O)CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C10H18N4O.HI/c1-6-7-11-9(15)8-12-10(13(2)3)14(4)5;/h1H,7-8H2,2-5H3,(H,11,15);1H
InChIKeyIFGAOUKLCMGJBU-UHFFFAOYSA-N
XLogP-0.17
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide?
The IUPAC name of 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide (CID 111093408) is 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide.
What is the SMILES notation for 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide?
The canonical SMILES for 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide is C#CCNC(=O)CN=C(N(C)C)N(C)C.I.
What is the InChIKey of 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide?
The InChIKey is IFGAOUKLCMGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.HI/c1-6-7-11-9(15)8-12-10(13(2)3)14(4)5;/h1H,7-8H2,2-5H3,(H,11,15);1H.
What are the key properties of 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide?
2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide has a molecular weight of 338.19 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(dimethylamino)methylideneamino]-N-prop-2-ynylacetamide;hydroiodide is sourced from PubChem (CID 111093408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).