spiro[5.6]dodecan-3-amine

C12H23N — CID 56639662

IUPACspiro[5.6]dodecan-3-amine
SMILESNC1CCC2(CCCCCC2)CC1
InChIInChI=1S/C12H23N/c13-11-5-9-12(10-6-11)7-3-1-2-4-8-12/h11H,1-10,13H2
InChIKeyUVOSLFJGGGNEFE-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.23
Rot. Bonds

About spiro[5.6]dodecan-3-amine

spiro[5.6]dodecan-3-amine (PubChem CID 56639662) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is spiro[5.6]dodecan-3-amine.

Molecular Properties

Compound Namespiro[5.6]dodecan-3-amine
PubChem CID56639662
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Namespiro[5.6]dodecan-3-amine
SMILESNC1CCC2(CCCCCC2)CC1
InChIInChI=1S/C12H23N/c13-11-5-9-12(10-6-11)7-3-1-2-4-8-12/h11H,1-10,13H2
InChIKeyUVOSLFJGGGNEFE-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[5.6]dodecan-3-amine?
The IUPAC name of spiro[5.6]dodecan-3-amine (CID 56639662) is spiro[5.6]dodecan-3-amine.
What is the SMILES notation for spiro[5.6]dodecan-3-amine?
The canonical SMILES for spiro[5.6]dodecan-3-amine is NC1CCC2(CCCCCC2)CC1.
What is the InChIKey of spiro[5.6]dodecan-3-amine?
The InChIKey is UVOSLFJGGGNEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c13-11-5-9-12(10-6-11)7-3-1-2-4-8-12/h11H,1-10,13H2.
What are the key properties of spiro[5.6]dodecan-3-amine?
spiro[5.6]dodecan-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.6]dodecan-3-amine is sourced from PubChem (CID 56639662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).