[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine

C15H22N2O2 — CID 65391894

IUPAC[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2ccccc2[N+](=O)[O-])CCCCCC1
InChIInChI=1S/C15H22N2O2/c16-12-15(9-5-1-2-6-10-15)11-13-7-3-4-8-14(13)17(18)19/h3-4,7-8H,1-2,5-6,9-12,16H2
InChIKeyQOJSJZLQENGBTA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.44
Rot. Bonds4

About [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine

[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine (PubChem CID 65391894) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine
PubChem CID65391894
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2ccccc2[N+](=O)[O-])CCCCCC1
InChIInChI=1S/C15H22N2O2/c16-12-15(9-5-1-2-6-10-15)11-13-7-3-4-8-14(13)17(18)19/h3-4,7-8H,1-2,5-6,9-12,16H2
InChIKeyQOJSJZLQENGBTA-UHFFFAOYSA-N
XLogP3.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.44
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

[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
CID 65394636
[1-[(4-bromo-2-nitrophenyl)methyl]cyclohexyl]methanamine
CID 114382765
[1-[(4-bromo-2-nitrophenyl)methyl]cycloheptyl]methanamine
CID 114382779
[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424678
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864
[1-(naphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 65391703
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
2-[[1-(aminomethyl)cyclopentyl]methyl]phenol
CID 105458102
[3-[2-(2-nitrophenyl)ethyl]oxolan-3-yl]methanamine
CID 65393225
1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine
CID 106827568
[4-ethyl-1-[(2-fluoro-3-nitrophenyl)methyl]cyclohexyl]methanamine
CID 107353703
[1-[(4-methoxy-3-nitrophenyl)methyl]cyclohexyl]methanamine
CID 65393807

Frequently Asked Questions

What is the IUPAC name of [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine?
The IUPAC name of [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine (CID 65391894) is [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine is NCC1(Cc2ccccc2[N+](=O)[O-])CCCCCC1.
What is the InChIKey of [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine?
The InChIKey is QOJSJZLQENGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-12-15(9-5-1-2-6-10-15)11-13-7-3-4-8-14(13)17(18)19/h3-4,7-8H,1-2,5-6,9-12,16H2.
What are the key properties of [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine?
[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine has a molecular weight of 262.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 65391894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).