2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C12H23F3N4O — CID 103369718

IUPAC2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CCNCC(C(N)=NO)C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H23F3N4O/c1-19(9-4-2-3-5-9)7-6-17-8-10(11(16)18-20)12(13,14)15/h9-10,17,20H,2-8H2,1H3,(H2,16,18)
InChIKeyZHRVUKOBRGZRSM-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.38
Rot. Bonds7

About 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369718) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369718
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CCNCC(C(N)=NO)C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H23F3N4O/c1-19(9-4-2-3-5-9)7-6-17-8-10(11(16)18-20)12(13,14)15/h9-10,17,20H,2-8H2,1H3,(H2,16,18)
InChIKeyZHRVUKOBRGZRSM-UHFFFAOYSA-N
XLogP1.38
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369718) is 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(CCNCC(C(N)=NO)C(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is ZHRVUKOBRGZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-19(9-4-2-3-5-9)7-6-17-8-10(11(16)18-20)12(13,14)15/h9-10,17,20H,2-8H2,1H3,(H2,16,18).
What are the key properties of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 296.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).