N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine

C15H20N2O — CID 73030610

IUPACN-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESCCCCC1=C(c2cccc(N)c2)C(=NO)CC1
InChIInChI=1S/C15H20N2O/c1-2-3-5-11-8-9-14(17-18)15(11)12-6-4-7-13(16)10-12/h4,6-7,10,18H,2-3,5,8-9,16H2,1H3
InChIKeyAIQWZSAJZGYODL-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.84
Rot. Bonds4

About N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine

N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 73030610) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID73030610
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESCCCCC1=C(c2cccc(N)c2)C(=NO)CC1
InChIInChI=1S/C15H20N2O/c1-2-3-5-11-8-9-14(17-18)15(11)12-6-4-7-13(16)10-12/h4,6-7,10,18H,2-3,5,8-9,16H2,1H3
InChIKeyAIQWZSAJZGYODL-UHFFFAOYSA-N
XLogP3.84
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine (CID 73030610) is N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine is CCCCC1=C(c2cccc(N)c2)C(=NO)CC1.
What is the InChIKey of N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is AIQWZSAJZGYODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-5-11-8-9-14(17-18)15(11)12-6-4-7-13(16)10-12/h4,6-7,10,18H,2-3,5,8-9,16H2,1H3.
What are the key properties of N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine?
N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 244.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 73030610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).