N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane

C19H32N2O2 — CID 143227876

IUPACN-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane
SMILESC/N=C/c1cc([N+](=O)[O-])ccc1C.CCCCCCC(C)CC
InChIInChI=1S/C10H22.C9H10N2O2/c1-4-6-7-8-9-10(3)5-2;1-7-3-4-9(11(12)13)5-8(7)6-10-2/h10H,4-9H2,1-3H3;3-6H,1-2H3/b;10-6+
InChIKeyZAVFNSUFEGWMPN-LOQGCFKBSA-N
MW320.48 g/mol
LogP5.95
Rot. Bonds8

About N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane

N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane (PubChem CID 143227876) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane
PubChem CID143227876
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane
SMILESC/N=C/c1cc([N+](=O)[O-])ccc1C.CCCCCCC(C)CC
InChIInChI=1S/C10H22.C9H10N2O2/c1-4-6-7-8-9-10(3)5-2;1-7-3-4-9(11(12)13)5-8(7)6-10-2/h10H,4-9H2,1-3H3;3-6H,1-2H3/b;10-6+
InChIKeyZAVFNSUFEGWMPN-LOQGCFKBSA-N
XLogP5.95
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

(5E)-3-methyl-5-[(2-methyl-5-nitrophenyl)methylidene]heptan-4-one
CID 129170858
2-(heptyliminomethyl)-4-nitrophenol
CID 4512182
4-nitro-2-(octadecyliminomethyl)phenol
CID 4097275
N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449
(3R)-3-methyl-1-(4-nitrophenyl)nonan-1-one
CID 70960327
2-decoxy-5-nitrobenzaldehyde
CID 25058968
4-nitro-1-[4-nitro-2-[(E)-oct-1-enyl]phenyl]-2-[(E)-oct-1-enyl]benzene
CID 58720490
1-(4-nitrophenyl)hexan-1-amine
CID 139623106
(3R)-3-methyloctadecane
CID 98094048
hexane;3-methylnonane
CID 173294071
3-methyldodecane
CID 28469

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane?
The IUPAC name of N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane (CID 143227876) is N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane.
What is the SMILES notation for N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane?
The canonical SMILES for N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane is C/N=C/c1cc([N+](=O)[O-])ccc1C.CCCCCCC(C)CC.
What is the InChIKey of N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane?
The InChIKey is ZAVFNSUFEGWMPN-LOQGCFKBSA-N. The full InChI is InChI=1S/C10H22.C9H10N2O2/c1-4-6-7-8-9-10(3)5-2;1-7-3-4-9(11(12)13)5-8(7)6-10-2/h10H,4-9H2,1-3H3;3-6H,1-2H3/b;10-6+.
What are the key properties of N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane?
N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane has a molecular weight of 320.48 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-5-nitrophenyl)methanimine;3-methylnonane is sourced from PubChem (CID 143227876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).