6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol

C17H39N3O — CID 102998419

IUPAC6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol
SMILESCCN(CC)CCCN(CC)CCCCC(C)(CO)NC
InChIInChI=1S/C17H39N3O/c1-6-19(7-2)14-11-15-20(8-3)13-10-9-12-17(4,16-21)18-5/h18,21H,6-16H2,1-5H3
InChIKeyZMMDLBLQIUAHOH-UHFFFAOYSA-N
MW301.52 g/mol
LogP2.18
Rot. Bonds14

About 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol

6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol (PubChem CID 102998419) has the molecular formula C17H39N3O and a molecular weight of 301.52 g/mol. Its IUPAC name is 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol
PubChem CID102998419
Molecular FormulaC17H39N3O
Molecular Weight301.52 g/mol
Exact Mass301.31
IUPAC Name6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol
SMILESCCN(CC)CCCN(CC)CCCCC(C)(CO)NC
InChIInChI=1S/C17H39N3O/c1-6-19(7-2)14-11-15-20(8-3)13-10-9-12-17(4,16-21)18-5/h18,21H,6-16H2,1-5H3
InChIKeyZMMDLBLQIUAHOH-UHFFFAOYSA-N
XLogP2.18
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol?
The IUPAC name of 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol (CID 102998419) is 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol.
What is the SMILES notation for 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol?
The canonical SMILES for 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol is CCN(CC)CCCN(CC)CCCCC(C)(CO)NC.
What is the InChIKey of 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol?
The InChIKey is ZMMDLBLQIUAHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3O/c1-6-19(7-2)14-11-15-20(8-3)13-10-9-12-17(4,16-21)18-5/h18,21H,6-16H2,1-5H3.
What are the key properties of 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol?
6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol has a molecular weight of 301.52 g/mol, XLogP of 2.18, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol is sourced from PubChem (CID 102998419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).