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

C15H29FN4O — CID 110035413

IUPAC2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CCCCC1N/C(=N/CC(=O)N(C)C)NCCCF
InChIInChI=1S/C15H29FN4O/c1-12-7-4-5-8-13(12)19-15(17-10-6-9-16)18-11-14(21)20(2)3/h12-13H,4-11H2,1-3H3,(H2,17,18,19)
InChIKeyTZYBVTIJVXDPJW-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.55
Rot. Bonds6

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

2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110035413) has the molecular formula C15H29FN4O and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110035413
Molecular FormulaC15H29FN4O
Molecular Weight300.42 g/mol
Exact Mass300.23
IUPAC Name2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CCCCC1N/C(=N/CC(=O)N(C)C)NCCCF
InChIInChI=1S/C15H29FN4O/c1-12-7-4-5-8-13(12)19-15(17-10-6-9-16)18-11-14(21)20(2)3/h12-13H,4-11H2,1-3H3,(H2,17,18,19)
InChIKeyTZYBVTIJVXDPJW-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 110035413) is 2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide is CC1CCCCC1N/C(=N/CC(=O)N(C)C)NCCCF.
What is the InChIKey of 2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is TZYBVTIJVXDPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN4O/c1-12-7-4-5-8-13(12)19-15(17-10-6-9-16)18-11-14(21)20(2)3/h12-13H,4-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 300.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110035413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).