8-methylcyclononane-1,2,3,4,6-pentamine

C10H25N5 — CID 156522931

IUPAC8-methylcyclononane-1,2,3,4,6-pentamine
SMILESCC1CC(N)CC(N)C(N)C(N)C(N)C1
InChIInChI=1S/C10H25N5/c1-5-2-6(11)4-8(13)10(15)9(14)7(12)3-5/h5-10H,2-4,11-15H2,1H3
InChIKeyAUKUPURTIXFMNO-UHFFFAOYSA-N
MW215.34 g/mol
LogP-1.56
Rot. Bonds

About 8-methylcyclononane-1,2,3,4,6-pentamine

8-methylcyclononane-1,2,3,4,6-pentamine (PubChem CID 156522931) has the molecular formula C10H25N5 and a molecular weight of 215.34 g/mol. Its IUPAC name is 8-methylcyclononane-1,2,3,4,6-pentamine.

Molecular Properties

Compound Name8-methylcyclononane-1,2,3,4,6-pentamine
PubChem CID156522931
Molecular FormulaC10H25N5
Molecular Weight215.34 g/mol
Exact Mass215.21
IUPAC Name8-methylcyclononane-1,2,3,4,6-pentamine
SMILESCC1CC(N)CC(N)C(N)C(N)C(N)C1
InChIInChI=1S/C10H25N5/c1-5-2-6(11)4-8(13)10(15)9(14)7(12)3-5/h5-10H,2-4,11-15H2,1H3
InChIKeyAUKUPURTIXFMNO-UHFFFAOYSA-N
XLogP-1.56
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methylcyclononane-1,2,3,4,6-pentamine?
The IUPAC name of 8-methylcyclononane-1,2,3,4,6-pentamine (CID 156522931) is 8-methylcyclononane-1,2,3,4,6-pentamine.
What is the SMILES notation for 8-methylcyclononane-1,2,3,4,6-pentamine?
The canonical SMILES for 8-methylcyclononane-1,2,3,4,6-pentamine is CC1CC(N)CC(N)C(N)C(N)C(N)C1.
What is the InChIKey of 8-methylcyclononane-1,2,3,4,6-pentamine?
The InChIKey is AUKUPURTIXFMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5/c1-5-2-6(11)4-8(13)10(15)9(14)7(12)3-5/h5-10H,2-4,11-15H2,1H3.
What are the key properties of 8-methylcyclononane-1,2,3,4,6-pentamine?
8-methylcyclononane-1,2,3,4,6-pentamine has a molecular weight of 215.34 g/mol, XLogP of -1.56, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylcyclononane-1,2,3,4,6-pentamine is sourced from PubChem (CID 156522931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).