2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C10H18F3N3O — CID 103370215

IUPAC2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNCCCC1CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)16-17)6-15-5-1-2-7-3-4-7/h7-8,15,17H,1-6H2,(H2,14,16)
InChIKeySKXQQVDMEDVHLM-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.69
Rot. Bonds7

About 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370215) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370215
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(CNCCCC1CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)16-17)6-15-5-1-2-7-3-4-7/h7-8,15,17H,1-6H2,(H2,14,16)
InChIKeySKXQQVDMEDVHLM-UHFFFAOYSA-N
XLogP1.69
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'oxime_1', '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 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370215) is 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(CNCCCC1CC1)C(F)(F)F.
What is the InChIKey of 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is SKXQQVDMEDVHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)8(9(14)16-17)6-15-5-1-2-7-3-4-7/h7-8,15,17H,1-6H2,(H2,14,16).
What are the key properties of 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylpropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).