N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C15H26N2O — CID 4648465

IUPACN-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESON=C1C2CCC(C2)C1NC1CCCCCCC1
InChIInChI=1S/C15H26N2O/c18-17-15-12-9-8-11(10-12)14(15)16-13-6-4-2-1-3-5-7-13/h11-14,16,18H,1-10H2
InChIKeyWVWXOQWPYUOIGC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.32
Rot. Bonds2

About N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 4648465) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID4648465
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESON=C1C2CCC(C2)C1NC1CCCCCCC1
InChIInChI=1S/C15H26N2O/c18-17-15-12-9-8-11(10-12)14(15)16-13-6-4-2-1-3-5-7-13/h11-14,16,18H,1-10H2
InChIKeyWVWXOQWPYUOIGC-UHFFFAOYSA-N
XLogP3.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 4648465) is N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is ON=C1C2CCC(C2)C1NC1CCCCCCC1.
What is the InChIKey of N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is WVWXOQWPYUOIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-17-15-12-9-8-11(10-12)14(15)16-13-6-4-2-1-3-5-7-13/h11-14,16,18H,1-10H2.
What are the key properties of N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 250.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclooctylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 4648465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).