1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine

C14H21N3O2 — CID 81333927

IUPAC1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CC(C)N(C)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O2/c1-10-7-13(9-16(10)3)15-11(2)12-5-4-6-14(8-12)17(18)19/h4-6,8,10-11,13,15H,7,9H2,1-3H3
InChIKeyMGFMCWAQSXOPCT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds4

About 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine

1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine (PubChem CID 81333927) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine
PubChem CID81333927
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CC(C)N(C)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O2/c1-10-7-13(9-16(10)3)15-11(2)12-5-4-6-14(8-12)17(18)19/h4-6,8,10-11,13,15H,7,9H2,1-3H3
InChIKeyMGFMCWAQSXOPCT-UHFFFAOYSA-N
XLogP2.34
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
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

3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
CID 64752209
1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81467257
1-N-[1-(3-nitrophenyl)ethyl]cyclobutane-1,3-diamine
CID 80560865
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467258
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]-1,3-dioxan-5-amine
CID 104585272
2,3-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclopentan-1-amine
CID 64908882
N-[1-(3-nitrophenyl)ethyl]thian-3-amine
CID 62873648
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
CID 81467260
N-[1-(3-nitrophenyl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60677171
1-(4-methylphenyl)sulfonyl-N-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
CID 112808889

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine (CID 81333927) is 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine is CC(NC1CC(C)N(C)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is MGFMCWAQSXOPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-13(9-16(10)3)15-11(2)12-5-4-6-14(8-12)17(18)19/h4-6,8,10-11,13,15H,7,9H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81333927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).