3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine

C15H24N2O2 — CID 63842993

IUPAC3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine
SMILESCCC(CC)C(C)NC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H24N2O2/c1-5-13(6-2)11(3)16-12(4)14-8-7-9-15(10-14)17(18)19/h7-13,16H,5-6H2,1-4H3
InChIKeyKSKJIMIMGVHJFX-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.07
Rot. Bonds7

About 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine

3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine (PubChem CID 63842993) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine
PubChem CID63842993
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine
SMILESCCC(CC)C(C)NC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H24N2O2/c1-5-13(6-2)11(3)16-12(4)14-8-7-9-15(10-14)17(18)19/h7-13,16H,5-6H2,1-4H3
InChIKeyKSKJIMIMGVHJFX-UHFFFAOYSA-N
XLogP4.07
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.07
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

(2S)-2-[1-(3-nitrophenyl)ethylamino]butan-1-ol
CID 104980376
1-methylsulfanyl-N-[1-(3-nitrophenyl)ethyl]butan-2-amine
CID 113350913
1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 62632904
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
1-(3-nitrophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62841318
N-[1-(3-nitrophenyl)ethyl]butan-1-amine
CID 43180605
1-(3-nitrophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43181736
2-[1-(3-nitrophenyl)ethylamino]ethanol
CID 43089007
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
N-[(4-ethylphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60943582
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine (CID 63842993) is 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine is CCC(CC)C(C)NC(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine?
The InChIKey is KSKJIMIMGVHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-13(6-2)11(3)16-12(4)14-8-7-9-15(10-14)17(18)19/h7-13,16H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine?
3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 63842993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).