3,3,6-trimethylcyclononan-1-amine

C12H25N — CID 170122621

IUPAC3,3,6-trimethylcyclononan-1-amine
SMILESCC1CCCC(N)CC(C)(C)CC1
InChIInChI=1S/C12H25N/c1-10-5-4-6-11(13)9-12(2,3)8-7-10/h10-11H,4-9,13H2,1-3H3
InChIKeyHOJRDFJYVMXGSC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds

About 3,3,6-trimethylcyclononan-1-amine

3,3,6-trimethylcyclononan-1-amine (PubChem CID 170122621) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,3,6-trimethylcyclononan-1-amine.

Molecular Properties

Compound Name3,3,6-trimethylcyclononan-1-amine
PubChem CID170122621
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,3,6-trimethylcyclononan-1-amine
SMILESCC1CCCC(N)CC(C)(C)CC1
InChIInChI=1S/C12H25N/c1-10-5-4-6-11(13)9-12(2,3)8-7-10/h10-11H,4-9,13H2,1-3H3
InChIKeyHOJRDFJYVMXGSC-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethylcyclononan-1-amine?
The IUPAC name of 3,3,6-trimethylcyclononan-1-amine (CID 170122621) is 3,3,6-trimethylcyclononan-1-amine.
What is the SMILES notation for 3,3,6-trimethylcyclononan-1-amine?
The canonical SMILES for 3,3,6-trimethylcyclononan-1-amine is CC1CCCC(N)CC(C)(C)CC1.
What is the InChIKey of 3,3,6-trimethylcyclononan-1-amine?
The InChIKey is HOJRDFJYVMXGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10-5-4-6-11(13)9-12(2,3)8-7-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 3,3,6-trimethylcyclononan-1-amine?
3,3,6-trimethylcyclononan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethylcyclononan-1-amine is sourced from PubChem (CID 170122621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).