N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide

C17H24FN5 — CID 143906351

IUPACN'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide
SMILESC/C(N)=N/N(N)C(CCN(C)C)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C17H24FN5/c1-12(19)21-23(20)17(8-9-22(2)3)15-5-4-14-11-16(18)7-6-13(14)10-15/h4-7,10-11,17H,8-9,20H2,1-3H3,(H2,19,21)
InChIKeyYVMGDXKLASIRHX-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.44
Rot. Bonds6

About N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide

N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide (PubChem CID 143906351) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide
PubChem CID143906351
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC NameN'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide
SMILESC/C(N)=N/N(N)C(CCN(C)C)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C17H24FN5/c1-12(19)21-23(20)17(8-9-22(2)3)15-5-4-14-11-16(18)7-6-13(14)10-15/h4-7,10-11,17H,8-9,20H2,1-3H3,(H2,19,21)
InChIKeyYVMGDXKLASIRHX-UHFFFAOYSA-N
XLogP2.44
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide?
The IUPAC name of N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide (CID 143906351) is N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide.
What is the SMILES notation for N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide?
The canonical SMILES for N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide is C/C(N)=N/N(N)C(CCN(C)C)c1ccc2cc(F)ccc2c1.
What is the InChIKey of N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide?
The InChIKey is YVMGDXKLASIRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-12(19)21-23(20)17(8-9-22(2)3)15-5-4-14-11-16(18)7-6-13(14)10-15/h4-7,10-11,17H,8-9,20H2,1-3H3,(H2,19,21).
What are the key properties of N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide?
N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide has a molecular weight of 317.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide is sourced from PubChem (CID 143906351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).