N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine

C14H19N3O2 — CID 15279356

IUPACN-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine
SMILESON=C1CCC(Oc2ncnc3c2CCCC3)CC1
InChIInChI=1S/C14H19N3O2/c18-17-10-5-7-11(8-6-10)19-14-12-3-1-2-4-13(12)15-9-16-14/h9,11,18H,1-8H2/b17-10-
InChIKeyVKCAVYBXEWSNJT-YVLHZVERSA-N
MW261.32 g/mol
LogP2.51
Rot. Bonds2

About N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine

N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine (PubChem CID 15279356) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine
PubChem CID15279356
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine
SMILESON=C1CCC(Oc2ncnc3c2CCCC3)CC1
InChIInChI=1S/C14H19N3O2/c18-17-10-5-7-11(8-6-10)19-14-12-3-1-2-4-13(12)15-9-16-14/h9,11,18H,1-8H2/b17-10-
InChIKeyVKCAVYBXEWSNJT-YVLHZVERSA-N
XLogP2.51
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine?
The IUPAC name of N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine (CID 15279356) is N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine is ON=C1CCC(Oc2ncnc3c2CCCC3)CC1.
What is the InChIKey of N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine?
The InChIKey is VKCAVYBXEWSNJT-YVLHZVERSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-17-10-5-7-11(8-6-10)19-14-12-3-1-2-4-13(12)15-9-16-14/h9,11,18H,1-8H2/b17-10-.
What are the key properties of N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine?
N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine has a molecular weight of 261.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexylidene]hydroxylamine is sourced from PubChem (CID 15279356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).