1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine

C14H21N3O2 — CID 61462195

IUPAC1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
SMILESCCC(NC1CCN(C)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O2/c1-3-14(15-12-7-8-16(2)10-12)11-5-4-6-13(9-11)17(18)19/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3
InChIKeyRKZYEABKJKGOBR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds5

About 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine

1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine (PubChem CID 61462195) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
PubChem CID61462195
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
SMILESCCC(NC1CCN(C)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O2/c1-3-14(15-12-7-8-16(2)10-12)11-5-4-6-13(9-11)17(18)19/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3
InChIKeyRKZYEABKJKGOBR-UHFFFAOYSA-N
XLogP2.34
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine
CID 61212967
1-benzyl-N-[1-(3-nitrophenyl)propyl]piperidin-4-amine
CID 119165383
N-[1-(3-nitrophenyl)butyl]cyclopropanamine
CID 43200341
N-[1-(3-nitrophenyl)butyl]oxolan-3-amine
CID 80717270
2,2-dimethyl-N-[1-(3-nitrophenyl)propyl]cyclohexan-1-amine
CID 79867091
N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine
CID 62535959
4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 106127516
1-[1-(3-nitrophenyl)propyl]azetidin-3-amine
CID 65244856
3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785906
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
[(1R,4S)-4-[[(1R)-1-(3-nitrophenyl)propyl]amino]cyclopent-2-en-1-yl]methanol
CID 99853716
5-[1-(3-nitrophenyl)butylamino]piperidin-2-one
CID 63663334

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine (CID 61462195) is 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine is CCC(NC1CCN(C)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine?
The InChIKey is RKZYEABKJKGOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-14(15-12-7-8-16(2)10-12)11-5-4-6-13(9-11)17(18)19/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3.
What are the key properties of 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine?
1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 61462195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).