1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine

C16H23N3O2 — CID 133320329

IUPAC1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine
SMILESCc1cc(NC2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O2/c1-12-10-13(6-7-16(12)19(20)21)17-14-8-9-18(11-14)15-4-2-3-5-15/h6-7,10,14-15,17H,2-5,8-9,11H2,1H3
InChIKeyGGYRZGUSWBYHDC-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.33
Rot. Bonds4

About 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine

1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine (PubChem CID 133320329) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine
PubChem CID133320329
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine
SMILESCc1cc(NC2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O2/c1-12-10-13(6-7-16(12)19(20)21)17-14-8-9-18(11-14)15-4-2-3-5-15/h6-7,10,14-15,17H,2-5,8-9,11H2,1H3
InChIKeyGGYRZGUSWBYHDC-UHFFFAOYSA-N
XLogP3.33
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.33
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-(3-methyl-4-nitrophenyl)piperidin-3-amine
CID 61211811
1-[(3S)-3-(3-methyl-4-nitroanilino)pyrrolidin-1-yl]propan-1-one
CID 125131333
1-[(3R)-3-(3-methyl-4-nitroanilino)pyrrolidin-1-yl]propan-1-one
CID 125131332
4-(3-methyl-4-nitroanilino)cyclohexan-1-ol
CID 43381665
4-methyl-N-(3-methyl-4-nitrophenyl)cycloheptan-1-amine
CID 65080487
3-methyl-4-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448438
trans-(1R,2R)-2-N-(3-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453599
1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine
CID 62912816
3-[(1-cyclopentylpyrrolidin-3-yl)amino]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 141171465
N-(3-ethylcyclopentyl)-3-methyl-4-nitroaniline
CID 64501556
N-(1-cyclobutylethyl)-3-methyl-4-nitroaniline
CID 115766646
6-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286761

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine (CID 133320329) is 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine is Cc1cc(NC2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine?
The InChIKey is GGYRZGUSWBYHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-10-13(6-7-16(12)19(20)21)17-14-8-9-18(11-14)15-4-2-3-5-15/h6-7,10,14-15,17H,2-5,8-9,11H2,1H3.
What are the key properties of 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine?
1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine has a molecular weight of 289.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 133320329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).