2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine

C14H27NO — CID 169199888

IUPAC2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine
SMILESCC(C)C(C)(C)O.NC1=CCC2(CC1)CC2
InChIInChI=1S/C8H13N.C6H14O/c9-7-1-3-8(4-2-7)5-6-8;1-5(2)6(3,4)7/h1H,2-6,9H2;5,7H,1-4H3
InChIKeyGEWYHOLTNOUBCN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.21
Rot. Bonds1

About 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine

2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine (PubChem CID 169199888) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine.

Molecular Properties

Compound Name2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine
PubChem CID169199888
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine
SMILESCC(C)C(C)(C)O.NC1=CCC2(CC1)CC2
InChIInChI=1S/C8H13N.C6H14O/c9-7-1-3-8(4-2-7)5-6-8;1-5(2)6(3,4)7/h1H,2-6,9H2;5,7H,1-4H3
InChIKeyGEWYHOLTNOUBCN-UHFFFAOYSA-N
XLogP3.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine?
The IUPAC name of 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine (CID 169199888) is 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine.
What is the SMILES notation for 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine?
The canonical SMILES for 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine is CC(C)C(C)(C)O.NC1=CCC2(CC1)CC2.
What is the InChIKey of 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine?
The InChIKey is GEWYHOLTNOUBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C6H14O/c9-7-1-3-8(4-2-7)5-6-8;1-5(2)6(3,4)7/h1H,2-6,9H2;5,7H,1-4H3.
What are the key properties of 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine?
2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine has a molecular weight of 225.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-ol;spiro[2.5]oct-6-en-6-amine is sourced from PubChem (CID 169199888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).