2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine

C15H28N2 — CID 20501060

IUPAC2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
SMILESC=CCN1C(C)(C)CC(N)CC12CCCCC2
InChIInChI=1S/C15H28N2/c1-4-10-17-14(2,3)11-13(16)12-15(17)8-6-5-7-9-15/h4,13H,1,5-12,16H2,2-3H3
InChIKeyCXNRHHUVJKZBFS-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.08
Rot. Bonds2

About 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine

2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine (PubChem CID 20501060) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
PubChem CID20501060
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
SMILESC=CCN1C(C)(C)CC(N)CC12CCCCC2
InChIInChI=1S/C15H28N2/c1-4-10-17-14(2,3)11-13(16)12-15(17)8-6-5-7-9-15/h4,13H,1,5-12,16H2,2-3H3
InChIKeyCXNRHHUVJKZBFS-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.08
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 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine?
The IUPAC name of 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine (CID 20501060) is 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine is C=CCN1C(C)(C)CC(N)CC12CCCCC2.
What is the InChIKey of 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine?
The InChIKey is CXNRHHUVJKZBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-10-17-14(2,3)11-13(16)12-15(17)8-6-5-7-9-15/h4,13H,1,5-12,16H2,2-3H3.
What are the key properties of 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine?
2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine has a molecular weight of 236.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 20501060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).