2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C14H25N5O2 — CID 103191221

IUPAC2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1cc([N+](=O)[O-])ccc1NN)C(C)CN(C)C
InChIInChI=1S/C14H25N5O2/c1-5-18(11(2)9-17(3)4)10-12-8-13(19(20)21)6-7-14(12)16-15/h6-8,11,16H,5,9-10,15H2,1-4H3
InChIKeyQETIHFGJGCDVLB-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.65
Rot. Bonds8

About 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191221) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191221
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1cc([N+](=O)[O-])ccc1NN)C(C)CN(C)C
InChIInChI=1S/C14H25N5O2/c1-5-18(11(2)9-17(3)4)10-12-8-13(19(20)21)6-7-14(12)16-15/h6-8,11,16H,5,9-10,15H2,1-4H3
InChIKeyQETIHFGJGCDVLB-UHFFFAOYSA-N
XLogP1.65
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
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CID 62208969
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
CID 107401482
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide
CID 79482467
N-methyl-2-[[methyl(3-methylbutyl)amino]methyl]-4-nitroaniline
CID 62207410
2-[[ethyl(2-methylbutyl)amino]methyl]-N-methyl-4-nitroaniline
CID 79481333
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
CID 62245318
1-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-nitrobenzene-1,2-diamine
CID 62508623

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191221) is 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is CCN(Cc1cc([N+](=O)[O-])ccc1NN)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is QETIHFGJGCDVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-18(11(2)9-17(3)4)10-12-8-13(19(20)21)6-7-14(12)16-15/h6-8,11,16H,5,9-10,15H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 295.39 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).