(NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine

C36H52N4O2 — CID 139068824

IUPAC(NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine
SMILESC[C@]1(c2ccccc2)C[C@@H](/C(CN2CCCCC2)=N/O)C1.C[C@]1(c2ccccc2)C[C@H](/C(CN2CCCCC2)=N/O)C1
InChIInChI=1S/2C18H26N2O/c2*1-18(16-8-4-2-5-9-16)12-15(13-18)17(19-21)14-20-10-6-3-7-11-20/h2*2,4-5,8-9,15,21H,3,6-7,10-14H2,1H3/b2*19-17+/t15-,18+;15-,18-
InChIKeyMJOBJVHIHFBTIT-AMCNKBOSSA-N
MW572.84 g/mol
LogP7.34
Rot. Bonds8

About (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine

(NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine (PubChem CID 139068824) has the molecular formula C36H52N4O2 and a molecular weight of 572.84 g/mol. Its IUPAC name is (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine
PubChem CID139068824
Molecular FormulaC36H52N4O2
Molecular Weight572.84 g/mol
Exact Mass572.41
IUPAC Name(NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine
SMILESC[C@]1(c2ccccc2)C[C@@H](/C(CN2CCCCC2)=N/O)C1.C[C@]1(c2ccccc2)C[C@H](/C(CN2CCCCC2)=N/O)C1
InChIInChI=1S/2C18H26N2O/c2*1-18(16-8-4-2-5-9-16)12-15(13-18)17(19-21)14-20-10-6-3-7-11-20/h2*2,4-5,8-9,15,21H,3,6-7,10-14H2,1H3/b2*19-17+/t15-,18+;15-,18-
InChIKeyMJOBJVHIHFBTIT-AMCNKBOSSA-N
XLogP7.34
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.84
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine (CID 139068824) is (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine is C[C@]1(c2ccccc2)C[C@@H](/C(CN2CCCCC2)=N/O)C1.C[C@]1(c2ccccc2)C[C@H](/C(CN2CCCCC2)=N/O)C1.
What is the InChIKey of (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine?
The InChIKey is MJOBJVHIHFBTIT-AMCNKBOSSA-N. The full InChI is InChI=1S/2C18H26N2O/c2*1-18(16-8-4-2-5-9-16)12-15(13-18)17(19-21)14-20-10-6-3-7-11-20/h2*2,4-5,8-9,15,21H,3,6-7,10-14H2,1H3/b2*19-17+/t15-,18+;15-,18-.
What are the key properties of (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine?
(NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine has a molecular weight of 572.84 g/mol, XLogP of 7.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3-methyl-3-phenylcyclobutyl)-2-piperidin-1-ylethylidene]hydroxylamine is sourced from PubChem (CID 139068824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).