N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline

C15H23N3O2 — CID 107351546

IUPACN-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline
SMILESCCCC1CCN(Cc2cccc([N+](=O)[O-])c2NC)C1
InChIInChI=1S/C15H23N3O2/c1-3-5-12-8-9-17(10-12)11-13-6-4-7-14(18(19)20)15(13)16-2/h4,6-7,12,16H,3,5,8-11H2,1-2H3
InChIKeyMZBYTFTVLRIZHR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.26
Rot. Bonds6

About N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline

N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline (PubChem CID 107351546) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline
PubChem CID107351546
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline
SMILESCCCC1CCN(Cc2cccc([N+](=O)[O-])c2NC)C1
InChIInChI=1S/C15H23N3O2/c1-3-5-12-8-9-17(10-12)11-13-6-4-7-14(18(19)20)15(13)16-2/h4,6-7,12,16H,3,5,8-11H2,1-2H3
InChIKeyMZBYTFTVLRIZHR-UHFFFAOYSA-N
XLogP3.26
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.26
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-methyl-2-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]aniline
CID 107351669
[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107352957
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-methyl-6-nitroaniline
CID 107351674
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]-6-nitroaniline
CID 107350938
(3S)-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 81491890
2-(1,3-dihydroisoindol-2-ylmethyl)-N-methyl-6-nitroaniline
CID 107351228
2-[(3-ethylpyrrolidin-1-yl)methyl]-6-nitroaniline
CID 107351544
1-[[2-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 107351251
2-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-yl]ethanol
CID 107348429
2-[1-[(2-fluoro-3-nitrophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 107350281
4-ethyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyrrolidin-2-one
CID 107351990
[2-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 107353157

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline (CID 107351546) is N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline is CCCC1CCN(Cc2cccc([N+](=O)[O-])c2NC)C1.
What is the InChIKey of N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is MZBYTFTVLRIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-5-12-8-9-17(10-12)11-13-6-4-7-14(18(19)20)15(13)16-2/h4,6-7,12,16H,3,5,8-11H2,1-2H3.
What are the key properties of N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline?
N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 107351546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).