3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol

C12H20N4O3 — CID 113469010

IUPAC3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)Cc1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H20N4O3/c1-2-15(6-3-7-17)9-10-4-5-12(16(18)19)11(8-10)14-13/h4-5,8,14,17H,2-3,6-7,9,13H2,1H3
InChIKeySAKDGFJUTLVAAO-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.08
Rot. Bonds8

About 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol

3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol (PubChem CID 113469010) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol
PubChem CID113469010
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)Cc1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H20N4O3/c1-2-15(6-3-7-17)9-10-4-5-12(16(18)19)11(8-10)14-13/h4-5,8,14,17H,2-3,6-7,9,13H2,1H3
InChIKeySAKDGFJUTLVAAO-UHFFFAOYSA-N
XLogP1.08
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
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-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
4-[[butyl(ethyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62181996
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 62244966
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
4-[[ethyl(propyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62182905
3-[[4-(ethylamino)-3-nitrophenyl]methyl-propan-2-ylamino]propan-1-ol
CID 62209172
3-[(2-chloro-5-nitrophenyl)methyl-ethylamino]propan-1-ol
CID 115666095
2-[butyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
CID 62184589
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62247011
N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline
CID 62209632
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol (CID 113469010) is 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol is CCN(CCCO)Cc1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol?
The InChIKey is SAKDGFJUTLVAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-15(6-3-7-17)9-10-4-5-12(16(18)19)11(8-10)14-13/h4-5,8,14,17H,2-3,6-7,9,13H2,1H3.
What are the key properties of 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol?
3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(3-hydrazinyl-4-nitrophenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 113469010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).