1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide

C14H26F3N3O — CID 79646380

IUPAC1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C14H26F3N3O/c1-4-7-20(9-14(15,16)17)11-5-6-13(8-11,12(18)21)19-10(2)3/h10-11,19H,4-9H2,1-3H3,(H2,18,21)
InChIKeyREMDPGZMALDMHJ-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.04
Rot. Bonds7

About 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide

1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide (PubChem CID 79646380) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
PubChem CID79646380
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C14H26F3N3O/c1-4-7-20(9-14(15,16)17)11-5-6-13(8-11,12(18)21)19-10(2)3/h10-11,19H,4-9H2,1-3H3,(H2,18,21)
InChIKeyREMDPGZMALDMHJ-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646385
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875
3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
3-[ethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654965
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646901
1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 79626795
3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655524
3-(dipropylamino)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650183
3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650663
1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646367
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide (CID 79646380) is 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide is CCCN(CC(F)(F)F)C1CCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide?
The InChIKey is REMDPGZMALDMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-4-7-20(9-14(15,16)17)11-5-6-13(8-11,12(18)21)19-10(2)3/h10-11,19H,4-9H2,1-3H3,(H2,18,21).
What are the key properties of 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide?
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 79646380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).