1,5-dimethylazocane;1-methylpiperazine

C14H31N3 — CID 144572789

IUPAC1,5-dimethylazocane;1-methylpiperazine
SMILESCC1CCCN(C)CCC1.CN1CCNCC1
InChIInChI=1S/C9H19N.C5H12N2/c1-9-5-3-7-10(2)8-4-6-9;1-7-4-2-6-3-5-7/h9H,3-8H2,1-2H3;6H,2-5H2,1H3
InChIKeyHTDJYNZTIVJPTN-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds

About 1,5-dimethylazocane;1-methylpiperazine

1,5-dimethylazocane;1-methylpiperazine (PubChem CID 144572789) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1,5-dimethylazocane;1-methylpiperazine.

Molecular Properties

Compound Name1,5-dimethylazocane;1-methylpiperazine
PubChem CID144572789
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1,5-dimethylazocane;1-methylpiperazine
SMILESCC1CCCN(C)CCC1.CN1CCNCC1
InChIInChI=1S/C9H19N.C5H12N2/c1-9-5-3-7-10(2)8-4-6-9;1-7-4-2-6-3-5-7/h9H,3-8H2,1-2H3;6H,2-5H2,1H3
InChIKeyHTDJYNZTIVJPTN-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylazocane;1-methylpiperazine?
The IUPAC name of 1,5-dimethylazocane;1-methylpiperazine (CID 144572789) is 1,5-dimethylazocane;1-methylpiperazine.
What is the SMILES notation for 1,5-dimethylazocane;1-methylpiperazine?
The canonical SMILES for 1,5-dimethylazocane;1-methylpiperazine is CC1CCCN(C)CCC1.CN1CCNCC1.
What is the InChIKey of 1,5-dimethylazocane;1-methylpiperazine?
The InChIKey is HTDJYNZTIVJPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C5H12N2/c1-9-5-3-7-10(2)8-4-6-9;1-7-4-2-6-3-5-7/h9H,3-8H2,1-2H3;6H,2-5H2,1H3.
What are the key properties of 1,5-dimethylazocane;1-methylpiperazine?
1,5-dimethylazocane;1-methylpiperazine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylazocane;1-methylpiperazine is sourced from PubChem (CID 144572789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).