4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide

C13H23F3N2O — CID 106213334

IUPAC4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide
SMILESCCCC(CCN)CCC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-10(6-9-17)4-5-11(19)18-12(7-8-12)13(14,15)16/h10H,2-9,17H2,1H3,(H,18,19)
InChIKeyATZGGIUXDGXCLD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.74
Rot. Bonds8

About 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide

4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide (PubChem CID 106213334) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide
PubChem CID106213334
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide
SMILESCCCC(CCN)CCC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-10(6-9-17)4-5-11(19)18-12(7-8-12)13(14,15)16/h10H,2-9,17H2,1H3,(H,18,19)
InChIKeyATZGGIUXDGXCLD-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213177
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 176873148
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
CID 104761558
4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674089
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 106213402
7-(2-aminoethyl)-2-methyldecan-4-one
CID 116582797
2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763950
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide
CID 106176097
2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
CID 106216273

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide (CID 106213334) is 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide is CCCC(CCN)CCC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide?
The InChIKey is ATZGGIUXDGXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-3-10(6-9-17)4-5-11(19)18-12(7-8-12)13(14,15)16/h10H,2-9,17H2,1H3,(H,18,19).
What are the key properties of 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide?
4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide has a molecular weight of 280.33 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide is sourced from PubChem (CID 106213334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).