3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide

C9H20FN3 — CID 81106617

IUPAC3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCCF
InChIInChI=1S/C9H20FN3/c1-3-13(6-4-5-10)7-8(2)9(11)12/h8H,3-7H2,1-2H3,(H3,11,12)
InChIKeyQZZWLPRLSUTEDV-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.24
Rot. Bonds7

About 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide

3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide (PubChem CID 81106617) has the molecular formula C9H20FN3 and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide
PubChem CID81106617
Molecular FormulaC9H20FN3
Molecular Weight189.28 g/mol
Exact Mass189.16
IUPAC Name3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCCF
InChIInChI=1S/C9H20FN3/c1-3-13(6-4-5-10)7-8(2)9(11)12/h8H,3-7H2,1-2H3,(H3,11,12)
InChIKeyQZZWLPRLSUTEDV-UHFFFAOYSA-N
XLogP1.24
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide (CID 81106617) is 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)CCCF.
What is the InChIKey of 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide?
The InChIKey is QZZWLPRLSUTEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN3/c1-3-13(6-4-5-10)7-8(2)9(11)12/h8H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide?
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide has a molecular weight of 189.28 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 81106617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).