(S)-cyclobutyl-(3-nitrophenyl)methanamine

C11H14N2O2 — CID 131565332

IUPAC(S)-cyclobutyl-(3-nitrophenyl)methanamine
SMILESN[C@H](c1cccc([N+](=O)[O-])c1)C1CCC1
InChIInChI=1S/C11H14N2O2/c12-11(8-3-1-4-8)9-5-2-6-10(7-9)13(14)15/h2,5-8,11H,1,3-4,12H2/t11-/m0/s1
InChIKeyWTJLRVDOVMCJJZ-NSHDSACASA-N
MW206.25 g/mol
LogP2.39
Rot. Bonds3

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

(S)-cyclobutyl-(3-nitrophenyl)methanamine (PubChem CID 131565332) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (S)-cyclobutyl-(3-nitrophenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclobutyl-(3-nitrophenyl)methanamine
PubChem CID131565332
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(S)-cyclobutyl-(3-nitrophenyl)methanamine
SMILESN[C@H](c1cccc([N+](=O)[O-])c1)C1CCC1
InChIInChI=1S/C11H14N2O2/c12-11(8-3-1-4-8)9-5-2-6-10(7-9)13(14)15/h2,5-8,11H,1,3-4,12H2/t11-/m0/s1
InChIKeyWTJLRVDOVMCJJZ-NSHDSACASA-N
XLogP2.39
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.39
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)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198021
(S)-cyclopentyl-(3-nitrophenyl)methanamine
CID 131494278
(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198023
(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
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
5-[cyclobutyl-(3-nitrophenyl)methyl]-1H-1,2,4-triazole
CID 166078767
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(3-nitrophenyl)methanamine?
The IUPAC name of (S)-cyclobutyl-(3-nitrophenyl)methanamine (CID 131565332) is (S)-cyclobutyl-(3-nitrophenyl)methanamine.
What is the SMILES notation for (S)-cyclobutyl-(3-nitrophenyl)methanamine?
The canonical SMILES for (S)-cyclobutyl-(3-nitrophenyl)methanamine is N[C@H](c1cccc([N+](=O)[O-])c1)C1CCC1.
What is the InChIKey of (S)-cyclobutyl-(3-nitrophenyl)methanamine?
The InChIKey is WTJLRVDOVMCJJZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O2/c12-11(8-3-1-4-8)9-5-2-6-10(7-9)13(14)15/h2,5-8,11H,1,3-4,12H2/t11-/m0/s1.
What are the key properties of (S)-cyclobutyl-(3-nitrophenyl)methanamine?
(S)-cyclobutyl-(3-nitrophenyl)methanamine has a molecular weight of 206.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(3-nitrophenyl)methanamine is sourced from PubChem (CID 131565332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).