(S)-cyclopentyl-(3-nitrophenyl)methanamine

C12H16N2O2 — CID 131494278

IUPAC(S)-cyclopentyl-(3-nitrophenyl)methanamine
SMILESN[C@H](c1cccc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C12H16N2O2/c13-12(9-4-1-2-5-9)10-6-3-7-11(8-10)14(15)16/h3,6-9,12H,1-2,4-5,13H2/t12-/m0/s1
InChIKeyWRXMJPDWWPYVCU-LBPRGKRZSA-N
MW220.27 g/mol
LogP2.78
Rot. Bonds3

About (S)-cyclopentyl-(3-nitrophenyl)methanamine

(S)-cyclopentyl-(3-nitrophenyl)methanamine (PubChem CID 131494278) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (S)-cyclopentyl-(3-nitrophenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-(3-nitrophenyl)methanamine
PubChem CID131494278
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(S)-cyclopentyl-(3-nitrophenyl)methanamine
SMILESN[C@H](c1cccc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C12H16N2O2/c13-12(9-4-1-2-5-9)10-6-3-7-11(8-10)14(15)16/h3,6-9,12H,1-2,4-5,13H2/t12-/m0/s1
InChIKeyWRXMJPDWWPYVCU-LBPRGKRZSA-N
XLogP2.78
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 ≤ 52.78
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

(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198023
(S)-cyclobutyl-(3-nitrophenyl)methanamine
CID 131565332
(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198021
(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine
CID 171314060
1-(1-cyclobutylethyl)-3-nitrobenzene
CID 170732279
2-cyclopentyl-2-(3-nitrophenyl)acetonitrile
CID 103193927
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 81387591
(S)-(4-bromo-3-nitrophenyl)-cyclopentylmethanamine
CID 171225820
(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride
CID 171225548
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(3-nitrophenyl)methanamine?
The IUPAC name of (S)-cyclopentyl-(3-nitrophenyl)methanamine (CID 131494278) is (S)-cyclopentyl-(3-nitrophenyl)methanamine.
What is the SMILES notation for (S)-cyclopentyl-(3-nitrophenyl)methanamine?
The canonical SMILES for (S)-cyclopentyl-(3-nitrophenyl)methanamine is N[C@H](c1cccc([N+](=O)[O-])c1)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-(3-nitrophenyl)methanamine?
The InChIKey is WRXMJPDWWPYVCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(9-4-1-2-5-9)10-6-3-7-11(8-10)14(15)16/h3,6-9,12H,1-2,4-5,13H2/t12-/m0/s1.
What are the key properties of (S)-cyclopentyl-(3-nitrophenyl)methanamine?
(S)-cyclopentyl-(3-nitrophenyl)methanamine has a molecular weight of 220.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(3-nitrophenyl)methanamine is sourced from PubChem (CID 131494278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).