O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine

C15H29N3O — CID 156719894

IUPACO-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine
SMILESCN1CCC2(CC1)CCN(CC1CC(ON)C1)CC2
InChIInChI=1S/C15H29N3O/c1-17-6-2-15(3-7-17)4-8-18(9-5-15)12-13-10-14(11-13)19-16/h13-14H,2-12,16H2,1H3
InChIKeyURMJIGNVDBPJJL-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds3

About O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine

O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine (PubChem CID 156719894) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine
PubChem CID156719894
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameO-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine
SMILESCN1CCC2(CC1)CCN(CC1CC(ON)C1)CC2
InChIInChI=1S/C15H29N3O/c1-17-6-2-15(3-7-17)4-8-18(9-5-15)12-13-10-14(11-13)19-16/h13-14H,2-12,16H2,1H3
InChIKeyURMJIGNVDBPJJL-UHFFFAOYSA-N
XLogP1.46
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine?
The IUPAC name of O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine (CID 156719894) is O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine.
What is the SMILES notation for O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine?
The canonical SMILES for O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine is CN1CCC2(CC1)CCN(CC1CC(ON)C1)CC2.
What is the InChIKey of O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine?
The InChIKey is URMJIGNVDBPJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17-6-2-15(3-7-17)4-8-18(9-5-15)12-13-10-14(11-13)19-16/h13-14H,2-12,16H2,1H3.
What are the key properties of O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine?
O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine has a molecular weight of 267.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclobutyl]hydroxylamine is sourced from PubChem (CID 156719894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).