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

C15H29FN4O — CID 110035897

IUPAC2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCCF)NCC1CCCCC1
InChIInChI=1S/C15H29FN4O/c1-20(2)14(21)12-19-15(17-10-6-9-16)18-11-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H2,17,18,19)
InChIKeyKNHOFEWZMSJITM-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.55
Rot. Bonds7

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

2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110035897) has the molecular formula C15H29FN4O and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110035897
Molecular FormulaC15H29FN4O
Molecular Weight300.42 g/mol
Exact Mass300.23
IUPAC Name2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCCF)NCC1CCCCC1
InChIInChI=1S/C15H29FN4O/c1-20(2)14(21)12-19-15(17-10-6-9-16)18-11-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H2,17,18,19)
InChIKeyKNHOFEWZMSJITM-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.55
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-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110035897) is 2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCCCF)NCC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is KNHOFEWZMSJITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN4O/c1-20(2)14(21)12-19-15(17-10-6-9-16)18-11-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 300.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylmethylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110035897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).