1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide

C14H24F3N3O — CID 79646367

IUPAC1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C1CCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C14H24F3N3O/c1-9(2)20(8-14(15,16)17)11-5-6-13(7-11,12(18)21)19-10-3-4-10/h9-11,19H,3-8H2,1-2H3,(H2,18,21)
InChIKeyOMTJYCUAKWOTPL-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.79
Rot. Bonds6

About 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide

1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide (PubChem CID 79646367) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
PubChem CID79646367
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C1CCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C14H24F3N3O/c1-9(2)20(8-14(15,16)17)11-5-6-13(7-11,12(18)21)19-10-3-4-10/h9-11,19H,3-8H2,1-2H3,(H2,18,21)
InChIKeyOMTJYCUAKWOTPL-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclopentane-1-carboxamide
CID 79655102
1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646385
methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79647441
1-(cyclopropylamino)-3-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79655109
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646380
3-[cyclopentyl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79655119
3-[butan-2-yl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79655033
1-(cyclopropylamino)-3-methylcyclopentane-1-carboxamide
CID 64513100
[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656869
1-(cyclopropylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclopentane-1-carboxamide
CID 79655154
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
methyl 1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636681

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide (CID 79646367) is 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide is CC(C)N(CC(F)(F)F)C1CCC(NC2CC2)(C(N)=O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide?
The InChIKey is OMTJYCUAKWOTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-9(2)20(8-14(15,16)17)11-5-6-13(7-11,12(18)21)19-10-3-4-10/h9-11,19H,3-8H2,1-2H3,(H2,18,21).
What are the key properties of 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide?
1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 79646367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).