6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine

C13H29N3 — CID 63608610

IUPAC6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
SMILESCC(N)CCCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H29N3/c1-12(14)7-5-6-8-16-10-9-15(4)13(2,3)11-16/h12H,5-11,14H2,1-4H3
InChIKeyFBRDRCWLPBWNBM-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds5

About 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine

6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine (PubChem CID 63608610) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine.

Molecular Properties

Compound Name6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
PubChem CID63608610
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
SMILESCC(N)CCCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H29N3/c1-12(14)7-5-6-8-16-10-9-15(4)13(2,3)11-16/h12H,5-11,14H2,1-4H3
InChIKeyFBRDRCWLPBWNBM-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine?
The IUPAC name of 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine (CID 63608610) is 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine.
What is the SMILES notation for 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine?
The canonical SMILES for 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine is CC(N)CCCCN1CCN(C)C(C)(C)C1.
What is the InChIKey of 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine?
The InChIKey is FBRDRCWLPBWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(14)7-5-6-8-16-10-9-15(4)13(2,3)11-16/h12H,5-11,14H2,1-4H3.
What are the key properties of 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine?
6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine is sourced from PubChem (CID 63608610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).