1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine

C15H24FN3O2 — CID 115569605

IUPAC1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H24FN3O2/c1-4-18(5-2)10-6-7-12(3)17-14-9-8-13(16)11-15(14)19(20)21/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyVMPKSMOXAHYLQN-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.66
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine (PubChem CID 115569605) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine
PubChem CID115569605
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H24FN3O2/c1-4-18(5-2)10-6-7-12(3)17-14-9-8-13(16)11-15(14)19(20)21/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyVMPKSMOXAHYLQN-UHFFFAOYSA-N
XLogP3.66
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-bromo-2-nitrophenyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43082229
1-N,1-N-diethyl-2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 115594916
4-fluoro-N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43685298
N',N'-diethyl-N-(4-fluoro-2-nitrophenyl)propane-1,3-diamine
CID 115569606
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393
4-fluoro-N-(4-methylsulfonylbutan-2-yl)-2-nitroaniline
CID 133386764
4-N-(2-chloro-4-nitrophenyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43078532
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
5-fluoro-2-nitro-N-pentan-2-ylaniline
CID 62377790
4-N-(3-chloro-2-nitrophenyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 104835675
4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
CID 115494070
2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine
CID 80772125

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine (CID 115569605) is 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine?
The InChIKey is VMPKSMOXAHYLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-4-18(5-2)10-6-7-12(3)17-14-9-8-13(16)11-15(14)19(20)21/h8-9,11-12,17H,4-7,10H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine has a molecular weight of 297.37 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine is sourced from PubChem (CID 115569605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).