4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane

C16H28N2 — CID 64952149

IUPAC4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESC1=CCC(CN2CCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C16H28N2/c1-3-7-15(8-4-1)13-18-12-11-17-16(14-18)9-5-2-6-10-16/h1,3,15,17H,2,4-14H2
InChIKeyRVTZHPOMHSWTQV-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.95
Rot. Bonds2

About 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane

4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64952149) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64952149
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESC1=CCC(CN2CCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C16H28N2/c1-3-7-15(8-4-1)13-18-12-11-17-16(14-18)9-5-2-6-10-16/h1,3,15,17H,2,4-14H2
InChIKeyRVTZHPOMHSWTQV-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.95
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 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane (CID 64952149) is 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane is C1=CCC(CN2CCNC3(CCCCC3)C2)CC1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is RVTZHPOMHSWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-7-15(8-4-1)13-18-12-11-17-16(14-18)9-5-2-6-10-16/h1,3,15,17H,2,4-14H2.
What are the key properties of 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane?
4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 248.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylmethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64952149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).