8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane

C14H26N2 — CID 64839465

IUPAC8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane
SMILESC=CCN1CC(C(C)C)NCC12CCCC2
InChIInChI=1S/C14H26N2/c1-4-9-16-10-13(12(2)3)15-11-14(16)7-5-6-8-14/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyOBYFSLPKKOBLEX-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.41
Rot. Bonds3

About 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane

8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane (PubChem CID 64839465) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane
PubChem CID64839465
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane
SMILESC=CCN1CC(C(C)C)NCC12CCCC2
InChIInChI=1S/C14H26N2/c1-4-9-16-10-13(12(2)3)15-11-14(16)7-5-6-8-14/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyOBYFSLPKKOBLEX-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.41
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 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane (CID 64839465) is 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane is C=CCN1CC(C(C)C)NCC12CCCC2.
What is the InChIKey of 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane?
The InChIKey is OBYFSLPKKOBLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-9-16-10-13(12(2)3)15-11-14(16)7-5-6-8-14/h4,12-13,15H,1,5-11H2,2-3H3.
What are the key properties of 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane?
8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane has a molecular weight of 222.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64839465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).