N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline

C14H17F5N2 — CID 83113024

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline
SMILESCN(C)C1(CNc2c(F)c(F)c(F)c(F)c2F)CCCC1
InChIInChI=1S/C14H17F5N2/c1-21(2)14(5-3-4-6-14)7-20-13-11(18)9(16)8(15)10(17)12(13)19/h20H,3-7H2,1-2H3
InChIKeyRARNPLSIHANPQR-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.67
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline

N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline (PubChem CID 83113024) has the molecular formula C14H17F5N2 and a molecular weight of 308.29 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline
PubChem CID83113024
Molecular FormulaC14H17F5N2
Molecular Weight308.29 g/mol
Exact Mass308.13
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline
SMILESCN(C)C1(CNc2c(F)c(F)c(F)c(F)c2F)CCCC1
InChIInChI=1S/C14H17F5N2/c1-21(2)14(5-3-4-6-14)7-20-13-11(18)9(16)8(15)10(17)12(13)19/h20H,3-7H2,1-2H3
InChIKeyRARNPLSIHANPQR-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridin-2-amine
CID 83113071
4-[[1-(dimethylamino)cyclobutyl]methylamino]-3,5-difluorobenzenecarbothioamide
CID 105418069
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676032
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
CID 83116976
2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine
CID 106890863
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 83120394
5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile
CID 83121516
2-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methylbenzoic acid
CID 107112365
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319
N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
CID 105416787

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline (CID 83113024) is N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline is CN(C)C1(CNc2c(F)c(F)c(F)c(F)c2F)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is RARNPLSIHANPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2/c1-21(2)14(5-3-4-6-14)7-20-13-11(18)9(16)8(15)10(17)12(13)19/h20H,3-7H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline?
N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 308.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 83113024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).