N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine

C15H24N2O2 — CID 55219961

IUPACN,3-diethyl-5-(2-nitrophenyl)pentan-2-amine
SMILESCCNC(C)C(CC)CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O2/c1-4-13(12(3)16-5-2)10-11-14-8-6-7-9-15(14)17(18)19/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyKWJVDAKNZMCIPA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.55
Rot. Bonds8

About N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine

N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine (PubChem CID 55219961) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine.

Molecular Properties

Compound NameN,3-diethyl-5-(2-nitrophenyl)pentan-2-amine
PubChem CID55219961
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN,3-diethyl-5-(2-nitrophenyl)pentan-2-amine
SMILESCCNC(C)C(CC)CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O2/c1-4-13(12(3)16-5-2)10-11-14-8-6-7-9-15(14)17(18)19/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyKWJVDAKNZMCIPA-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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Related Compounds

N-[2-(2-nitrophenyl)ethyl]pentan-3-amine
CID 55145860
N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine
CID 63063846
1-(2-nitrophenyl)pentan-3-amine
CID 43370528
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
4-methyl-6-(2-nitrophenyl)hexan-3-ol
CID 55222317
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
N-ethyl-3-[(5-fluoro-2-nitrophenyl)methyl]pentan-2-amine
CID 61000465
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789
N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
CID 61064607
N,4-dimethyl-1-(2-nitrophenyl)pentan-3-amine
CID 54891644
4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine
CID 55146049
1-(4-chloro-3-methylpentyl)-2-nitrobenzene
CID 63062823

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine?
The IUPAC name of N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine (CID 55219961) is N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine.
What is the SMILES notation for N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine?
The canonical SMILES for N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine is CCNC(C)C(CC)CCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine?
The InChIKey is KWJVDAKNZMCIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13(12(3)16-5-2)10-11-14-8-6-7-9-15(14)17(18)19/h6-9,12-13,16H,4-5,10-11H2,1-3H3.
What are the key properties of N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine?
N,3-diethyl-5-(2-nitrophenyl)pentan-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,3-diethyl-5-(2-nitrophenyl)pentan-2-amine is sourced from PubChem (CID 55219961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).