2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

C14H28FN5O2 — CID 110034935

IUPAC2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCCF)NCCN1CCOCC1
InChIInChI=1S/C14H28FN5O2/c1-19(2)13(21)12-18-14(16-5-3-4-15)17-6-7-20-8-10-22-11-9-20/h3-12H2,1-2H3,(H2,16,17,18)
InChIKeyHJVLSGFIWQRZLI-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.70
Rot. Bonds8

About 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110034935) has the molecular formula C14H28FN5O2 and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110034935
Molecular FormulaC14H28FN5O2
Molecular Weight317.41 g/mol
Exact Mass317.22
IUPAC Name2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCCF)NCCN1CCOCC1
InChIInChI=1S/C14H28FN5O2/c1-19(2)13(21)12-18-14(16-5-3-4-15)17-6-7-20-8-10-22-11-9-20/h3-12H2,1-2H3,(H2,16,17,18)
InChIKeyHJVLSGFIWQRZLI-UHFFFAOYSA-N
XLogP-0.70
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-Methyl-1-(2-morpholin-4-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 91659449
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376457
2-[[(2-methoxyethylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109376478
2-[[(2-methoxyethylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109376479
N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109376560
N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109376561
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109377248
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 109377249
2-[[(3-ethoxypropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109378469
N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 109472520
N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide
CID 109472521
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109472522

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110034935) is 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCCCF)NCCN1CCOCC1.
What is the InChIKey of 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is HJVLSGFIWQRZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN5O2/c1-19(2)13(21)12-18-14(16-5-3-4-15)17-6-7-20-8-10-22-11-9-20/h3-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 317.41 g/mol, XLogP of -0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110034935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).