N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C14H24N4O2 — CID 107351082

IUPACN'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H24N4O2/c1-4-8-17(10-9-16(2)3)11-12-6-5-7-13(14(12)15)18(19)20/h5-7H,4,8-11,15H2,1-3H3
InChIKeyOLGBLXXUWMUMRG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.95
Rot. Bonds8

About N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 107351082) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID107351082
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H24N4O2/c1-4-8-17(10-9-16(2)3)11-12-6-5-7-13(14(12)15)18(19)20/h5-7H,4,8-11,15H2,1-3H3
InChIKeyOLGBLXXUWMUMRG-UHFFFAOYSA-N
XLogP1.95
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-3-nitrophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 107351216
2-[[bis(2-methylpropyl)amino]methyl]-6-nitroaniline
CID 107350943
2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol
CID 107350928
2-[(2-amino-3-nitrophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 107351087
2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline
CID 107350713
2-[[methyl(pentan-3-yl)amino]methyl]-6-nitroaniline
CID 107350885
2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351465
2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline
CID 107350720
N-[(2-amino-3-nitrophenyl)methyl]-N-methyloxan-4-amine
CID 107350901
1-[(2-amino-3-nitrophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 107351197
N,N,N'-trimethyl-N'-[[3-nitro-2-(propylamino)phenyl]methyl]ethane-1,2-diamine
CID 107351328
2,2-dimethyl-N'-[(2-nitrophenyl)methyl]-N'-propylpropane-1,3-diamine
CID 79667471

Frequently Asked Questions

What is the IUPAC name of N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 107351082) is N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1cccc([N+](=O)[O-])c1N.
What is the InChIKey of N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is OLGBLXXUWMUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-8-17(10-9-16(2)3)11-12-6-5-7-13(14(12)15)18(19)20/h5-7H,4,8-11,15H2,1-3H3.
What are the key properties of N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 280.37 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 107351082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).