1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine

C16H23N3O2 — CID 103114661

IUPAC1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
SMILESCc1c(CNC2CC(C)N(C3CC3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O2/c1-11-8-14(10-18(11)15-6-7-15)17-9-13-4-3-5-16(12(13)2)19(20)21/h3-5,11,14-15,17H,6-10H2,1-2H3
InChIKeyAXNWHPCFQSVUSA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.62
Rot. Bonds5

About 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine (PubChem CID 103114661) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
PubChem CID103114661
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
SMILESCc1c(CNC2CC(C)N(C3CC3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O2/c1-11-8-14(10-18(11)15-6-7-15)17-9-13-4-3-5-16(12(13)2)19(20)21/h3-5,11,14-15,17H,6-10H2,1-2H3
InChIKeyAXNWHPCFQSVUSA-UHFFFAOYSA-N
XLogP2.62
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.62
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

4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 43508989
1,3-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine
CID 114503511
N-[(2-methyl-3-nitrophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 103114597
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
1-cyclopropyl-5-methyl-N-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133347843
4-[(2-methyl-3-nitrophenyl)methylamino]azepan-2-one
CID 103114777
2,2-dimethyl-3-[(2-methyl-3-nitrophenyl)methylamino]cyclobutan-1-ol
CID 114629537
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
8-tert-butyl-N-[(2-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 58964801
4-[(2-methyl-3-nitrophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 103114941
2,4,4-trimethyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 103114591
[5-methyl-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 115486068

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine (CID 103114661) is 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine is Cc1c(CNC2CC(C)N(C3CC3)C2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is AXNWHPCFQSVUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-8-14(10-18(11)15-6-7-15)17-9-13-4-3-5-16(12(13)2)19(20)21/h3-5,11,14-15,17H,6-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 289.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103114661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).