N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine

C13H25N — CID 126989440

IUPACN-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine
SMILESCCC(C)(C)NC1CCC2(CC1)CC2
InChIInChI=1S/C13H25N/c1-4-12(2,3)14-11-5-7-13(8-6-11)9-10-13/h11,14H,4-10H2,1-3H3
InChIKeyHREBGOOYWLOBDH-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.49
Rot. Bonds3

About N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine

N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine (PubChem CID 126989440) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine
PubChem CID126989440
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine
SMILESCCC(C)(C)NC1CCC2(CC1)CC2
InChIInChI=1S/C13H25N/c1-4-12(2,3)14-11-5-7-13(8-6-11)9-10-13/h11,14H,4-10H2,1-3H3
InChIKeyHREBGOOYWLOBDH-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine?
The IUPAC name of N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine (CID 126989440) is N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine is CCC(C)(C)NC1CCC2(CC1)CC2.
What is the InChIKey of N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine?
The InChIKey is HREBGOOYWLOBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-12(2,3)14-11-5-7-13(8-6-11)9-10-13/h11,14H,4-10H2,1-3H3.
What are the key properties of N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine?
N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine has a molecular weight of 195.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine is sourced from PubChem (CID 126989440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).