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

C14H23N3O2 — CID 102604986

IUPACN,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine
SMILESCc1cccc(NCC(C)(C)CN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N3O2/c1-11-7-6-8-12(13(11)17(18)19)15-9-14(2,3)10-16(4)5/h6-8,15H,9-10H2,1-5H3
InChIKeyTXWQDOXTEWWUCF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.90
Rot. Bonds6

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

N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine (PubChem CID 102604986) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine
PubChem CID102604986
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine
SMILESCc1cccc(NCC(C)(C)CN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N3O2/c1-11-7-6-8-12(13(11)17(18)19)15-9-14(2,3)10-16(4)5/h6-8,15H,9-10H2,1-5H3
InChIKeyTXWQDOXTEWWUCF-UHFFFAOYSA-N
XLogP2.90
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.90
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

N'-(3-fluoro-2-nitrophenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60790330
3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80771221
N-(2,2-dimethylpropyl)-3-methyl-2-nitroaniline
CID 102605102
2-N,2-N-dimethyl-1-N-(3-methyl-2-nitrophenyl)propane-1,2-diamine
CID 102809456
N-(2,2-dimethylbutyl)-3-methylsulfonyl-2-nitroaniline
CID 103462398
N-(2-cyclopropylethyl)-3-methyl-2-nitroaniline
CID 102605217
N-(3-methyl-2-nitrophenyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102604988
1-(dimethylamino)-3-(3-ethoxy-2-nitroanilino)-2-methylpropan-2-ol
CID 104695638
N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 28543307
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrobenzamide
CID 79817560
1,1-difluoro-3-(3-methyl-2-nitroanilino)propan-2-ol
CID 114093804

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine (CID 102604986) is N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine is Cc1cccc(NCC(C)(C)CN(C)C)c1[N+](=O)[O-].
What is the InChIKey of N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine?
The InChIKey is TXWQDOXTEWWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-7-6-8-12(13(11)17(18)19)15-9-14(2,3)10-16(4)5/h6-8,15H,9-10H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.90, 6 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'-(3-methyl-2-nitrophenyl)propane-1,3-diamine is sourced from PubChem (CID 102604986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).