2-[(3-nitrophenyl)methyl]cyclopentan-1-amine

C12H16N2O2 — CID 61381561

IUPAC2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O2/c13-12-6-2-4-10(12)7-9-3-1-5-11(8-9)14(15)16/h1,3,5,8,10,12H,2,4,6-7,13H2
InChIKeyQHHMDPSFTRUMBN-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.26
Rot. Bonds3

About 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine

2-[(3-nitrophenyl)methyl]cyclopentan-1-amine (PubChem CID 61381561) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
PubChem CID61381561
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O2/c13-12-6-2-4-10(12)7-9-3-1-5-11(8-9)14(15)16/h1,3,5,8,10,12H,2,4,6-7,13H2
InChIKeyQHHMDPSFTRUMBN-UHFFFAOYSA-N
XLogP2.26
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 64824627
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
2-[cyclohexyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide
CID 15118358
2-[(3-nitrophenyl)methyl]oxirane
CID 15181939
1-chloro-2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459139
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
1-bromo-2-[(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63471251
(3-nitrophenyl)methanesulfonic acid;hydrochloride
CID 174623089
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
1-N,2-N-bis[(3-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040610

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine (CID 61381561) is 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine is NC1CCCC1Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine?
The InChIKey is QHHMDPSFTRUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12-6-2-4-10(12)7-9-3-1-5-11(8-9)14(15)16/h1,3,5,8,10,12H,2,4,6-7,13H2.
What are the key properties of 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine?
2-[(3-nitrophenyl)methyl]cyclopentan-1-amine has a molecular weight of 220.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 61381561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).