3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide

C10H22FN3 — CID 81106620

IUPAC3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCF)CC(C)C
InChIInChI=1S/C10H22FN3/c1-9(2)8-14(6-3-5-11)7-4-10(12)13/h9H,3-8H2,1-2H3,(H3,12,13)
InChIKeyXXTLJPIPHINMNW-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.63
Rot. Bonds8

About 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide

3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide (PubChem CID 81106620) has the molecular formula C10H22FN3 and a molecular weight of 203.30 g/mol. Its IUPAC name is 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide
PubChem CID81106620
Molecular FormulaC10H22FN3
Molecular Weight203.30 g/mol
Exact Mass203.18
IUPAC Name3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCF)CC(C)C
InChIInChI=1S/C10H22FN3/c1-9(2)8-14(6-3-5-11)7-4-10(12)13/h9H,3-8H2,1-2H3,(H3,12,13)
InChIKeyXXTLJPIPHINMNW-UHFFFAOYSA-N
XLogP1.63
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.63
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-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide?
The IUPAC name of 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide (CID 81106620) is 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCCF)CC(C)C.
What is the InChIKey of 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide?
The InChIKey is XXTLJPIPHINMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN3/c1-9(2)8-14(6-3-5-11)7-4-10(12)13/h9H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide?
3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide has a molecular weight of 203.30 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 81106620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).