N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine

C11H18N4O2 — CID 14697636

IUPACN'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(CCN)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H18N4O2/c12-5-7-14(8-6-13)9-10-1-3-11(4-2-10)15(16)17/h1-4H,5-9,12-13H2
InChIKeyNAFVQANZPHTQQI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.31
Rot. Bonds7

About N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine (PubChem CID 14697636) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
PubChem CID14697636
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(CCN)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H18N4O2/c12-5-7-14(8-6-13)9-10-1-3-11(4-2-10)15(16)17/h1-4H,5-9,12-13H2
InChIKeyNAFVQANZPHTQQI-UHFFFAOYSA-N
XLogP0.31
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-aminoethyl)-1-N-[(4-nitrophenyl)methyl]propane-1,2-diamine
CID 19793965
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
N'-ethyl-N'-[(3-nitrophenyl)methyl]ethane-1,2-diamine
CID 66568364
2-[2-hydroxyethyl-[(4-nitrophenyl)methyl]amino]acetic acid
CID 118327152
N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 118070261
N-(2-aminoethyl)-N-[2-[2-aminoethyl-(4-nitrophenyl)sulfonylamino]ethyl]-4-nitrobenzenesulfonamide
CID 154451677
N-[[4-(aminomethyl)phenyl]methyl]-N-[(4-methylsulfanylphenyl)methyl]-3-(4-nitrophenyl)propan-1-amine
CID 142934474
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
3-amino-N-[(4-nitrophenyl)methyl]-N-propan-2-ylpropanamide
CID 119302700
1-(2-aminoethyl)-1-(4-nitrophenyl)urea
CID 53435798
N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 57030248

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine (CID 14697636) is N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine is NCCN(CCN)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine?
The InChIKey is NAFVQANZPHTQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-5-7-14(8-6-13)9-10-1-3-11(4-2-10)15(16)17/h1-4H,5-9,12-13H2.
What are the key properties of N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine has a molecular weight of 238.29 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 14697636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).