1,5-dimethyl-1,2,4,5,7-pentazocane

C5H15N5 — CID 59906329

IUPAC1,5-dimethyl-1,2,4,5,7-pentazocane
SMILESCN1CNCN(C)NCN1
InChIInChI=1S/C5H15N5/c1-9-4-6-5-10(2)8-3-7-9/h6-8H,3-5H2,1-2H3
InChIKeyFNVQNTUJYQTRPA-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.67
Rot. Bonds

About 1,5-dimethyl-1,2,4,5,7-pentazocane

1,5-dimethyl-1,2,4,5,7-pentazocane (PubChem CID 59906329) has the molecular formula C5H15N5 and a molecular weight of 145.21 g/mol. Its IUPAC name is 1,5-dimethyl-1,2,4,5,7-pentazocane.

Molecular Properties

Compound Name1,5-dimethyl-1,2,4,5,7-pentazocane
PubChem CID59906329
Molecular FormulaC5H15N5
Molecular Weight145.21 g/mol
Exact Mass145.13
IUPAC Name1,5-dimethyl-1,2,4,5,7-pentazocane
SMILESCN1CNCN(C)NCN1
InChIInChI=1S/C5H15N5/c1-9-4-6-5-10(2)8-3-7-9/h6-8H,3-5H2,1-2H3
InChIKeyFNVQNTUJYQTRPA-UHFFFAOYSA-N
XLogP-1.67
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,2,4,5,7-pentazocane?
The IUPAC name of 1,5-dimethyl-1,2,4,5,7-pentazocane (CID 59906329) is 1,5-dimethyl-1,2,4,5,7-pentazocane.
What is the SMILES notation for 1,5-dimethyl-1,2,4,5,7-pentazocane?
The canonical SMILES for 1,5-dimethyl-1,2,4,5,7-pentazocane is CN1CNCN(C)NCN1.
What is the InChIKey of 1,5-dimethyl-1,2,4,5,7-pentazocane?
The InChIKey is FNVQNTUJYQTRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N5/c1-9-4-6-5-10(2)8-3-7-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 1,5-dimethyl-1,2,4,5,7-pentazocane?
1,5-dimethyl-1,2,4,5,7-pentazocane has a molecular weight of 145.21 g/mol, XLogP of -1.67, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,2,4,5,7-pentazocane is sourced from PubChem (CID 59906329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).