N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine

C15H23N3O2 — CID 133341263

IUPACN,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H23N3O2/c1-4-16(5-2)13-8-9-17(11-13)14-7-6-12(3)10-15(14)18(19)20/h6-7,10,13H,4-5,8-9,11H2,1-3H3
InChIKeyAYRCNPYFDVCLHN-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.82
Rot. Bonds5

About N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine

N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine (PubChem CID 133341263) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
PubChem CID133341263
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H23N3O2/c1-4-16(5-2)13-8-9-17(11-13)14-7-6-12(3)10-15(14)18(19)20/h6-7,10,13H,4-5,8-9,11H2,1-3H3
InChIKeyAYRCNPYFDVCLHN-UHFFFAOYSA-N
XLogP2.82
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
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-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743
N,N-dimethyl-1-(4-methyl-2-nitrophenyl)piperidin-4-amine
CID 134485466
2-[3-(diethylamino)pyrrolidin-1-yl]-5-methylbenzonitrile
CID 107927459
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885
N-methyl-N-[[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 133341265
2-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 71865356
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
ethyl 1-(4-methyl-2-nitrophenyl)piperidine-4-carboxylate
CID 62004724
N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
CID 61205011
N-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanesulfonamide
CID 75432011
2-[3-(diethylamino)pyrrolidin-1-yl]-5-methylbenzenecarbothioamide
CID 107928962
4-(2-methoxyethoxy)-1-(4-methyl-2-nitrophenyl)piperidine
CID 133389723

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine (CID 133341263) is N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine is CCN(CC)C1CCN(c2ccc(C)cc2[N+](=O)[O-])C1.
What is the InChIKey of N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The InChIKey is AYRCNPYFDVCLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-16(5-2)13-8-9-17(11-13)14-7-6-12(3)10-15(14)18(19)20/h6-7,10,13H,4-5,8-9,11H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine has a molecular weight of 277.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 133341263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).