2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C11H20F3N3 — CID 103370638

IUPAC2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCC)CC1CC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3/c1-2-5-17(6-8-3-4-8)7-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16)
InChIKeyLUWQLVAMNRERQH-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.22
Rot. Bonds7

About 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370638) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370638
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCC)CC1CC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3/c1-2-5-17(6-8-3-4-8)7-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16)
InChIKeyLUWQLVAMNRERQH-UHFFFAOYSA-N
XLogP2.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.22
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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Related Compounds

3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
CID 61441894
2-[cyclopropylmethyl(propyl)amino]ethanimidamide
CID 61441797
2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370643
4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide
CID 65252334
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370793
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370782
4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61441796
3,3,3-trifluoro-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide
CID 103370722
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
3,3,3-trifluoro-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836177
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanehydrazide
CID 63584517

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370638) is 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CCC)CC1CC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is LUWQLVAMNRERQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-2-5-17(6-8-3-4-8)7-9(10(15)16)11(12,13)14/h8-9H,2-7H2,1H3,(H3,15,16).
What are the key properties of 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 251.30 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).