spiro[5.5]undecan-3-amine

C11H21N — CID 15719642

IUPACspiro[5.5]undecan-3-amine
SMILESNC1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H21N/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h10H,1-9,12H2
InChIKeyBAERJJQGHJOXHR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.84
Rot. Bonds

About spiro[5.5]undecan-3-amine

spiro[5.5]undecan-3-amine (PubChem CID 15719642) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is spiro[5.5]undecan-3-amine.

Molecular Properties

Compound Namespiro[5.5]undecan-3-amine
PubChem CID15719642
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Namespiro[5.5]undecan-3-amine
SMILESNC1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H21N/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h10H,1-9,12H2
InChIKeyBAERJJQGHJOXHR-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[5.5]undecan-3-amine?
The IUPAC name of spiro[5.5]undecan-3-amine (CID 15719642) is spiro[5.5]undecan-3-amine.
What is the SMILES notation for spiro[5.5]undecan-3-amine?
The canonical SMILES for spiro[5.5]undecan-3-amine is NC1CCC2(CCCCC2)CC1.
What is the InChIKey of spiro[5.5]undecan-3-amine?
The InChIKey is BAERJJQGHJOXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h10H,1-9,12H2.
What are the key properties of spiro[5.5]undecan-3-amine?
spiro[5.5]undecan-3-amine has a molecular weight of 167.30 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undecan-3-amine is sourced from PubChem (CID 15719642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).