3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide

C12H23F2N3O — CID 114224130

IUPAC3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CC1CCC(F)(F)C1
InChIInChI=1S/C12H23F2N3O/c1-18-7-6-17(5-3-11(15)16)9-10-2-4-12(13,14)8-10/h10H,2-9H2,1H3,(H3,15,16)
InChIKeyVAHJGYMPRAKXEQ-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.70
Rot. Bonds8

About 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide

3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide (PubChem CID 114224130) has the molecular formula C12H23F2N3O and a molecular weight of 263.33 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide
PubChem CID114224130
Molecular FormulaC12H23F2N3O
Molecular Weight263.33 g/mol
Exact Mass263.18
IUPAC Name3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CC1CCC(F)(F)C1
InChIInChI=1S/C12H23F2N3O/c1-18-7-6-17(5-3-11(15)16)9-10-2-4-12(13,14)8-10/h10H,2-9H2,1H3,(H3,15,16)
InChIKeyVAHJGYMPRAKXEQ-UHFFFAOYSA-N
XLogP1.70
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl(2-methoxyethyl)amino]propanimidamide
CID 61451724
3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide
CID 63286211
3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide
CID 114813460
3-[(4-chloro-2-fluorophenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 114849629
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 63286081
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
CID 65457368
2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 114223672
3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 63285770
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 63286083
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide (CID 114224130) is 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)CC1CCC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The InChIKey is VAHJGYMPRAKXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N3O/c1-18-7-6-17(5-3-11(15)16)9-10-2-4-12(13,14)8-10/h10H,2-9H2,1H3,(H3,15,16).
What are the key properties of 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide?
3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide has a molecular weight of 263.33 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 114224130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).