3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane

C19H28N2 — CID 64878013

IUPAC3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
SMILESC=CCN1CC2(CCCCC2)NCC1Cc1ccccc1
InChIInChI=1S/C19H28N2/c1-2-13-21-16-19(11-7-4-8-12-19)20-15-18(21)14-17-9-5-3-6-10-17/h2-3,5-6,9-10,18,20H,1,4,7-8,11-16H2
InChIKeyRSOCPUFQQAWGQJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.39
Rot. Bonds4

About 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane

3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64878013) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
PubChem CID64878013
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
SMILESC=CCN1CC2(CCCCC2)NCC1Cc1ccccc1
InChIInChI=1S/C19H28N2/c1-2-13-21-16-19(11-7-4-8-12-19)20-15-18(21)14-17-9-5-3-6-10-17/h2-3,5-6,9-10,18,20H,1,4,7-8,11-16H2
InChIKeyRSOCPUFQQAWGQJ-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane (CID 64878013) is 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane is C=CCN1CC2(CCCCC2)NCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is RSOCPUFQQAWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-13-21-16-19(11-7-4-8-12-19)20-15-18(21)14-17-9-5-3-6-10-17/h2-3,5-6,9-10,18,20H,1,4,7-8,11-16H2.
What are the key properties of 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane?
3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 284.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64878013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).