N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine

C15H24N2O2 — CID 61064607

IUPACN-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
SMILESCCCC(C)C(Cc1ccccc1[N+](=O)[O-])NCC
InChIInChI=1S/C15H24N2O2/c1-4-8-12(3)14(16-5-2)11-13-9-6-7-10-15(13)17(18)19/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3
InChIKeyBKZQTGRBOZKBTO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.55
Rot. Bonds8

About N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine

N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine (PubChem CID 61064607) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
PubChem CID61064607
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
SMILESCCCC(C)C(Cc1ccccc1[N+](=O)[O-])NCC
InChIInChI=1S/C15H24N2O2/c1-4-8-12(3)14(16-5-2)11-13-9-6-7-10-15(13)17(18)19/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3
InChIKeyBKZQTGRBOZKBTO-UHFFFAOYSA-N
XLogP3.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine (CID 61064607) is N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine is CCCC(C)C(Cc1ccccc1[N+](=O)[O-])NCC.
What is the InChIKey of N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine?
The InChIKey is BKZQTGRBOZKBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-8-12(3)14(16-5-2)11-13-9-6-7-10-15(13)17(18)19/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine?
N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine is sourced from PubChem (CID 61064607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).