2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide

C10H21FN4O — CID 110034931

IUPAC2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCCCF
InChIInChI=1S/C10H21FN4O/c1-4-12-10(13-7-5-6-11)14-8-9(16)15(2)3/h4-8H2,1-3H3,(H2,12,13,14)
InChIKeyDRBBTSBEGOWLMQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.01
Rot. Bonds6

About 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110034931) has the molecular formula C10H21FN4O and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110034931
Molecular FormulaC10H21FN4O
Molecular Weight232.30 g/mol
Exact Mass232.17
IUPAC Name2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCCCF
InChIInChI=1S/C10H21FN4O/c1-4-12-10(13-7-5-6-11)14-8-9(16)15(2)3/h4-8H2,1-3H3,(H2,12,13,14)
InChIKeyDRBBTSBEGOWLMQ-UHFFFAOYSA-N
XLogP-0.01
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110034931) is 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NCCCF.
What is the InChIKey of 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is DRBBTSBEGOWLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN4O/c1-4-12-10(13-7-5-6-11)14-8-9(16)15(2)3/h4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 232.30 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110034931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).