11-methylspiro[5.5]undecan-5-amine

C12H23N — CID 138665061

IUPAC11-methylspiro[5.5]undecan-5-amine
SMILESCC1CCCCC12CCCCC2N
InChIInChI=1S/C12H23N/c1-10-6-2-4-8-12(10)9-5-3-7-11(12)13/h10-11H,2-9,13H2,1H3
InChIKeyMPUNHWPHSAFCKR-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.08
Rot. Bonds

About 11-methylspiro[5.5]undecan-5-amine

11-methylspiro[5.5]undecan-5-amine (PubChem CID 138665061) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 11-methylspiro[5.5]undecan-5-amine.

Molecular Properties

Compound Name11-methylspiro[5.5]undecan-5-amine
PubChem CID138665061
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name11-methylspiro[5.5]undecan-5-amine
SMILESCC1CCCCC12CCCCC2N
InChIInChI=1S/C12H23N/c1-10-6-2-4-8-12(10)9-5-3-7-11(12)13/h10-11H,2-9,13H2,1H3
InChIKeyMPUNHWPHSAFCKR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-methylspiro[5.5]undecan-5-amine?
The IUPAC name of 11-methylspiro[5.5]undecan-5-amine (CID 138665061) is 11-methylspiro[5.5]undecan-5-amine.
What is the SMILES notation for 11-methylspiro[5.5]undecan-5-amine?
The canonical SMILES for 11-methylspiro[5.5]undecan-5-amine is CC1CCCCC12CCCCC2N.
What is the InChIKey of 11-methylspiro[5.5]undecan-5-amine?
The InChIKey is MPUNHWPHSAFCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10-6-2-4-8-12(10)9-5-3-7-11(12)13/h10-11H,2-9,13H2,1H3.
What are the key properties of 11-methylspiro[5.5]undecan-5-amine?
11-methylspiro[5.5]undecan-5-amine has a molecular weight of 181.32 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylspiro[5.5]undecan-5-amine is sourced from PubChem (CID 138665061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).