3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine

C15H26N4O2 — CID 103192460

IUPAC3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine
SMILESCCNc1cc(N(CC)C(C)CN(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H26N4O2/c1-6-16-13-8-14(10-15(9-13)19(20)21)18(7-2)12(3)11-17(4)5/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyXAQXNMGRBZYLRG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.80
Rot. Bonds8

About 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine

3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine (PubChem CID 103192460) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine
PubChem CID103192460
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine
SMILESCCNc1cc(N(CC)C(C)CN(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H26N4O2/c1-6-16-13-8-14(10-15(9-13)19(20)21)18(7-2)12(3)11-17(4)5/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyXAQXNMGRBZYLRG-UHFFFAOYSA-N
XLogP2.80
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
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-ethyl-5-nitro-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CID 80790869
3-[3-(ethylamino)-N-(2-methylpropyl)-5-nitroanilino]propanenitrile
CID 80790276
3-N-butan-2-yl-1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80776508
2-[N-ethyl-3-(ethylamino)-5-nitroanilino]-N-methylacetamide
CID 80809284
3-N,3-N-dimethyl-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80765756
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
2-[3-(ethylamino)-5-nitroanilino]-N,N-dimethylpropanamide
CID 80803534
1-N-ethyl-3-N-(2-fluorophenyl)-3-N-methyl-5-nitrobenzene-1,3-diamine
CID 80797995
N-ethyl-3-nitro-5-propan-2-yloxyaniline
CID 80721910
3-N-[2-(diethylamino)ethyl]-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80770128
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
3-N-(1-ethoxypropan-2-yl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80813774

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine?
The IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine (CID 103192460) is 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine.
What is the SMILES notation for 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine?
The canonical SMILES for 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine is CCNc1cc(N(CC)C(C)CN(C)C)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine?
The InChIKey is XAQXNMGRBZYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-16-13-8-14(10-15(9-13)19(20)21)18(7-2)12(3)11-17(4)5/h8-10,12,16H,6-7,11H2,1-5H3.
What are the key properties of 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine?
3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine has a molecular weight of 294.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(dimethylamino)propan-2-yl]-1-N,3-N-diethyl-5-nitrobenzene-1,3-diamine is sourced from PubChem (CID 103192460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).