(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride

C12H17ClN2O2 — CID 171198023

IUPAC(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C12H16N2O2.ClH/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;1H/t12-;/m1./s1
InChIKeyYVTOYVCIMCICGJ-UTONKHPSSA-N
MW256.73 g/mol
LogP3.21
Rot. Bonds3

About (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride

(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride (PubChem CID 171198023) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
PubChem CID171198023
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C12H16N2O2.ClH/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;1H/t12-;/m1./s1
InChIKeyYVTOYVCIMCICGJ-UTONKHPSSA-N
XLogP3.21
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.21
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

(S)-cyclopentyl-(3-nitrophenyl)methanamine
CID 131494278
(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198021
(S)-cyclobutyl-(3-nitrophenyl)methanamine
CID 131565332
(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
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride
CID 171225548
(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 81387591
(S)-(4-bromo-3-nitrophenyl)-cyclopentylmethanamine
CID 171225820

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride (CID 171198023) is (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1cccc([N+](=O)[O-])c1)C1CCCC1.
What is the InChIKey of (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride?
The InChIKey is YVTOYVCIMCICGJ-UTONKHPSSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/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;1H/t12-;/m1./s1.
What are the key properties of (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride?
(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171198023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).