3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine

C14H24N4O2 — CID 103192488

IUPAC3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine
SMILESCCN(c1cccc(NC)c1[N+](=O)[O-])C(C)CN(C)C
InChIInChI=1S/C14H24N4O2/c1-6-17(11(2)10-16(4)5)13-9-7-8-12(15-3)14(13)18(19)20/h7-9,11,15H,6,10H2,1-5H3
InChIKeyOYQOIRKMKGNVBL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.41
Rot. Bonds7

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

3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine (PubChem CID 103192488) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine
PubChem CID103192488
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine
SMILESCCN(c1cccc(NC)c1[N+](=O)[O-])C(C)CN(C)C
InChIInChI=1S/C14H24N4O2/c1-6-17(11(2)10-16(4)5)13-9-7-8-12(15-3)14(13)18(19)20/h7-9,11,15H,6,10H2,1-5H3
InChIKeyOYQOIRKMKGNVBL-UHFFFAOYSA-N
XLogP2.41
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine?
The IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine (CID 103192488) is 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine.
What is the SMILES notation for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine?
The canonical SMILES for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine is CCN(c1cccc(NC)c1[N+](=O)[O-])C(C)CN(C)C.
What is the InChIKey of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine?
The InChIKey is OYQOIRKMKGNVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-6-17(11(2)10-16(4)5)13-9-7-8-12(15-3)14(13)18(19)20/h7-9,11,15H,6,10H2,1-5H3.
What are the key properties of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine?
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine has a molecular weight of 280.37 g/mol, XLogP of 2.41, 7 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]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine is sourced from PubChem (CID 103192488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).