1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine

C14H21F2N3 — CID 55203728

IUPAC1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine
SMILESCN(CCNc1c(F)cc(N)cc1F)C1CCCC1
InChIInChI=1S/C14H21F2N3/c1-19(11-4-2-3-5-11)7-6-18-14-12(15)8-10(17)9-13(14)16/h8-9,11,18H,2-7,17H2,1H3
InChIKeyHHXSADMZQDWKNE-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.83
Rot. Bonds5

About 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine

1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine (PubChem CID 55203728) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine
PubChem CID55203728
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine
SMILESCN(CCNc1c(F)cc(N)cc1F)C1CCCC1
InChIInChI=1S/C14H21F2N3/c1-19(11-4-2-3-5-11)7-6-18-14-12(15)8-10(17)9-13(14)16/h8-9,11,18H,2-7,17H2,1H3
InChIKeyHHXSADMZQDWKNE-UHFFFAOYSA-N
XLogP2.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 63314722
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
1-N-[3-(dimethylamino)propyl]-2,6-difluorobenzene-1,4-diamine
CID 61016451
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluorobenzene-1,2-diamine
CID 62974996
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methoxybenzene-1,4-diamine
CID 63675933
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254
2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine
CID 62976081
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914834

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine (CID 55203728) is 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine is CN(CCNc1c(F)cc(N)cc1F)C1CCCC1.
What is the InChIKey of 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine?
The InChIKey is HHXSADMZQDWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-19(11-4-2-3-5-11)7-6-18-14-12(15)8-10(17)9-13(14)16/h8-9,11,18H,2-7,17H2,1H3.
What are the key properties of 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine?
1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine has a molecular weight of 269.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 55203728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).