5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine

C15H24N2O2 — CID 115325808

IUPAC5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
SMILESCC(C)CCCCNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H24N2O2/c1-13(2)5-3-4-11-16-12-10-14-6-8-15(9-7-14)17(18)19/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyVDOHGUJVWIPQEF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.55
Rot. Bonds9

About 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine

5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine (PubChem CID 115325808) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
PubChem CID115325808
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
SMILESCC(C)CCCCNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H24N2O2/c1-13(2)5-3-4-11-16-12-10-14-6-8-15(9-7-14)17(18)19/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyVDOHGUJVWIPQEF-UHFFFAOYSA-N
XLogP3.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-nitrophenyl)ethylamino]butan-2-ol
CID 64912488
2-methyl-N-[3-(4-nitrophenyl)propyl]propan-1-amine
CID 62549184
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
4-[2-(5-methylhexylamino)ethyl]aniline
CID 115326174
3-methylsulfinyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
CID 113487445
2-(4-nitrophenyl)-N-(2-propan-2-ylsulfanylethyl)ethanamine
CID 114268580
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride
CID 173432321
3-methyl-N-[2-(4-nitrophenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905303
4-[2-(4-nitrophenyl)ethylamino]butanoic acid
CID 43520095
2-methyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61219672
3,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61221202

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine?
The IUPAC name of 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine (CID 115325808) is 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine?
The canonical SMILES for 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine is CC(C)CCCCNCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine?
The InChIKey is VDOHGUJVWIPQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13(2)5-3-4-11-16-12-10-14-6-8-15(9-7-14)17(18)19/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine?
5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine is sourced from PubChem (CID 115325808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).