2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine

C14H22N4O3 — CID 107353100

IUPAC2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
SMILESCN(CCOCC1CC1)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C14H22N4O3/c1-17(7-8-21-10-11-5-6-11)9-12-3-2-4-13(18(19)20)14(12)16-15/h2-4,11,16H,5-10,15H2,1H3
InChIKeyCXGNDWHGOQTYRX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.74
Rot. Bonds9

About 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine

2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine (PubChem CID 107353100) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
PubChem CID107353100
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
SMILESCN(CCOCC1CC1)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C14H22N4O3/c1-17(7-8-21-10-11-5-6-11)9-12-3-2-4-13(18(19)20)14(12)16-15/h2-4,11,16H,5-10,15H2,1H3
InChIKeyCXGNDWHGOQTYRX-UHFFFAOYSA-N
XLogP1.74
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107353064
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 107353144
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075
N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline
CID 107351162
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044
[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107352957
3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
CID 107352931
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine (CID 107353100) is 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine is CN(CCOCC1CC1)Cc1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine?
The InChIKey is CXGNDWHGOQTYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(7-8-21-10-11-5-6-11)9-12-3-2-4-13(18(19)20)14(12)16-15/h2-4,11,16H,5-10,15H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine?
2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine has a molecular weight of 294.35 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 107353100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).