2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine

C16H24N2O2 — CID 63061787

IUPAC2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O2/c1-2-12-17-15-8-5-7-13(15)10-11-14-6-3-4-9-16(14)18(19)20/h3-4,6,9,13,15,17H,2,5,7-8,10-12H2,1H3
InChIKeyNINUBLGPQWCXAA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.70
Rot. Bonds7

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

2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine (PubChem CID 63061787) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine
PubChem CID63061787
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O2/c1-2-12-17-15-8-5-7-13(15)10-11-14-6-3-4-9-16(14)18(19)20/h3-4,6,9,13,15,17H,2,5,7-8,10-12H2,1H3
InChIKeyNINUBLGPQWCXAA-UHFFFAOYSA-N
XLogP3.70
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.70
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

3-[2-(2-nitrophenyl)ethyl]-N-propyloxan-4-amine
CID 106469499
2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 63061613
2-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63061960
2-[2-(4-nitrophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79576656
N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711632
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
2-[(2-bromo-4-nitrophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399835
1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one
CID 103711175
3-(2-nitrophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64717794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine (CID 63061787) is 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is NINUBLGPQWCXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-12-17-15-8-5-7-13(15)10-11-14-6-3-4-9-16(14)18(19)20/h3-4,6,9,13,15,17H,2,5,7-8,10-12H2,1H3.
What are the key properties of 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine?
2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 63061787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).