N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine

C14H23N3O2 — CID 28572568

IUPACN,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H23N3O2/c1-14(2,11-16(3)4)10-15-9-12-7-5-6-8-13(12)17(18)19/h5-8,15H,9-11H2,1-4H3
InChIKeyQWZLNUWEFHPBOH-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.27
Rot. Bonds7

About N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine (PubChem CID 28572568) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine
PubChem CID28572568
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H23N3O2/c1-14(2,11-16(3)4)10-15-9-12-7-5-6-8-13(12)17(18)19/h5-8,15H,9-11H2,1-4H3
InChIKeyQWZLNUWEFHPBOH-UHFFFAOYSA-N
XLogP2.27
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(dimethylamino)-2-methyl-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 103838849
N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide
CID 103824411
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
N'-ethyl-N'-methyl-N-[(2-nitrophenyl)methyl]ethane-1,2-diamine
CID 62635543
methyl 2-[2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenyl]acetate
CID 115461412
(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
CID 93033289
4-[(2-fluoro-3-nitrophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 106146699
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine;trihydrochloride
CID 175115663
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
N-[(2-nitrophenyl)methyl]nonan-1-amine
CID 60669264

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine (CID 28572568) is N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine is CN(C)CC(C)(C)CNCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine?
The InChIKey is QWZLNUWEFHPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,11-16(3)4)10-15-9-12-7-5-6-8-13(12)17(18)19/h5-8,15H,9-11H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 28572568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).