5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine

C13H29N3O — CID 103391911

IUPAC5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
SMILESCOCC(CCCN)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H29N3O/c1-13(2)11-16(9-8-15(13)3)12(10-17-4)6-5-7-14/h12H,5-11,14H2,1-4H3
InChIKeyBMYSKNKOAKMUFA-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds6

About 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine

5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine (PubChem CID 103391911) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
PubChem CID103391911
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
SMILESCOCC(CCCN)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H29N3O/c1-13(2)11-16(9-8-15(13)3)12(10-17-4)6-5-7-14/h12H,5-11,14H2,1-4H3
InChIKeyBMYSKNKOAKMUFA-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine (CID 103391911) is 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine is COCC(CCCN)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The InChIKey is BMYSKNKOAKMUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13(2)11-16(9-8-15(13)3)12(10-17-4)6-5-7-14/h12H,5-11,14H2,1-4H3.
What are the key properties of 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 103391911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).