1,3,5-trimethylcyclononane-1,3,5-triamine

C12H27N3 — CID 163899329

IUPAC1,3,5-trimethylcyclononane-1,3,5-triamine
SMILESCC1(N)CCCCC(C)(N)CC(C)(N)C1
InChIInChI=1S/C12H27N3/c1-10(13)6-4-5-7-11(2,14)9-12(3,15)8-10/h4-9,13-15H2,1-3H3
InChIKeyQIKWRGLXVYUECH-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.49
Rot. Bonds

About 1,3,5-trimethylcyclononane-1,3,5-triamine

1,3,5-trimethylcyclononane-1,3,5-triamine (PubChem CID 163899329) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1,3,5-trimethylcyclononane-1,3,5-triamine.

Molecular Properties

Compound Name1,3,5-trimethylcyclononane-1,3,5-triamine
PubChem CID163899329
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1,3,5-trimethylcyclononane-1,3,5-triamine
SMILESCC1(N)CCCCC(C)(N)CC(C)(N)C1
InChIInChI=1S/C12H27N3/c1-10(13)6-4-5-7-11(2,14)9-12(3,15)8-10/h4-9,13-15H2,1-3H3
InChIKeyQIKWRGLXVYUECH-UHFFFAOYSA-N
XLogP1.49
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylcyclononane-1,3,5-triamine?
The IUPAC name of 1,3,5-trimethylcyclononane-1,3,5-triamine (CID 163899329) is 1,3,5-trimethylcyclononane-1,3,5-triamine.
What is the SMILES notation for 1,3,5-trimethylcyclononane-1,3,5-triamine?
The canonical SMILES for 1,3,5-trimethylcyclononane-1,3,5-triamine is CC1(N)CCCCC(C)(N)CC(C)(N)C1.
What is the InChIKey of 1,3,5-trimethylcyclononane-1,3,5-triamine?
The InChIKey is QIKWRGLXVYUECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(13)6-4-5-7-11(2,14)9-12(3,15)8-10/h4-9,13-15H2,1-3H3.
What are the key properties of 1,3,5-trimethylcyclononane-1,3,5-triamine?
1,3,5-trimethylcyclononane-1,3,5-triamine has a molecular weight of 213.37 g/mol, XLogP of 1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylcyclononane-1,3,5-triamine is sourced from PubChem (CID 163899329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).