4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine

C15H24N4O3 — CID 146561159

IUPAC4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine
SMILESCNc1cc([N+](=O)[O-])c(OC2CC2)cc1N(C)CCN(C)C
InChIInChI=1S/C15H24N4O3/c1-16-12-9-14(19(20)21)15(22-11-5-6-11)10-13(12)18(4)8-7-17(2)3/h9-11,16H,5-8H2,1-4H3
InChIKeyLYCXYWPOPLOPLA-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.18
Rot. Bonds8

About 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine

4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine (PubChem CID 146561159) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine.

Molecular Properties

Compound Name4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine
PubChem CID146561159
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine
SMILESCNc1cc([N+](=O)[O-])c(OC2CC2)cc1N(C)CCN(C)C
InChIInChI=1S/C15H24N4O3/c1-16-12-9-14(19(20)21)15(22-11-5-6-11)10-13(12)18(4)8-7-17(2)3/h9-11,16H,5-8H2,1-4H3
InChIKeyLYCXYWPOPLOPLA-UHFFFAOYSA-N
XLogP2.18
TPSA70.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]-2-methylguanidine
CID 145449390
1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
CID 159333833
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-nitro-5-propan-2-yloxybenzene-1,4-diamine
CID 140851194
(1Z)-1-but-3-en-2-ylidene-3-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitrophenyl]-2-methylguanidine
CID 144945496
N'-(5-fluoro-2-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine
CID 90383171
1-(3-cyclohexyloxy-4-nitrophenyl)-N-methylmethanamine
CID 62115686
6-bromo-2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 171500377
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-yl]benzene-1,4-diamine
CID 155695758
[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
CID 106825684
5-cyclopentyloxy-2,4-dinitrophenol
CID 139703889
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[(Z)-pent-3-enyl]pyrimidin-2-yl]benzene-1,4-diamine
CID 145177337
1-N-[4-(3-cyclopropylindazol-1-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine
CID 121280384

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine?
The IUPAC name of 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine (CID 146561159) is 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine.
What is the SMILES notation for 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine?
The canonical SMILES for 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine is CNc1cc([N+](=O)[O-])c(OC2CC2)cc1N(C)CCN(C)C.
What is the InChIKey of 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine?
The InChIKey is LYCXYWPOPLOPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-16-12-9-14(19(20)21)15(22-11-5-6-11)10-13(12)18(4)8-7-17(2)3/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine?
4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine has a molecular weight of 308.38 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethyl-5-nitrobenzene-1,2-diamine is sourced from PubChem (CID 146561159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).