(3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane

C15H27N — CID 89086949

IUPAC(3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane
SMILESC=C(C)[C@@H]1CC2(CCCC2)CN1C(C)CC
InChIInChI=1S/C15H27N/c1-5-13(4)16-11-15(8-6-7-9-15)10-14(16)12(2)3/h13-14H,2,5-11H2,1,3-4H3/t13?,14-/m0/s1
InChIKeySLWXQFYMCOLOSR-KZUDCZAMSA-N
MW221.39 g/mol
LogP4.00
Rot. Bonds3

About (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane

(3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane (PubChem CID 89086949) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane
PubChem CID89086949
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane
SMILESC=C(C)[C@@H]1CC2(CCCC2)CN1C(C)CC
InChIInChI=1S/C15H27N/c1-5-13(4)16-11-15(8-6-7-9-15)10-14(16)12(2)3/h13-14H,2,5-11H2,1,3-4H3/t13?,14-/m0/s1
InChIKeySLWXQFYMCOLOSR-KZUDCZAMSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane?
The IUPAC name of (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane (CID 89086949) is (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane.
What is the SMILES notation for (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane?
The canonical SMILES for (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane is C=C(C)[C@@H]1CC2(CCCC2)CN1C(C)CC.
What is the InChIKey of (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane?
The InChIKey is SLWXQFYMCOLOSR-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H27N/c1-5-13(4)16-11-15(8-6-7-9-15)10-14(16)12(2)3/h13-14H,2,5-11H2,1,3-4H3/t13?,14-/m0/s1.
What are the key properties of (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane?
(3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane has a molecular weight of 221.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-butan-2-yl-3-prop-1-en-2-yl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 89086949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).