2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol

C16H37N3O — CID 102998428

IUPAC2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol
SMILESCCN(CC)CCCN(CC)CCCCC(C)(N)CO
InChIInChI=1S/C16H37N3O/c1-5-18(6-2)13-10-14-19(7-3)12-9-8-11-16(4,17)15-20/h20H,5-15,17H2,1-4H3
InChIKeyWACCOQGTPUGDHQ-UHFFFAOYSA-N
MW287.49 g/mol
LogP1.92
Rot. Bonds13

About 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol

2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol (PubChem CID 102998428) has the molecular formula C16H37N3O and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol
PubChem CID102998428
Molecular FormulaC16H37N3O
Molecular Weight287.49 g/mol
Exact Mass287.29
IUPAC Name2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol
SMILESCCN(CC)CCCN(CC)CCCCC(C)(N)CO
InChIInChI=1S/C16H37N3O/c1-5-18(6-2)13-10-14-19(7-3)12-9-8-11-16(4,17)15-20/h20H,5-15,17H2,1-4H3
InChIKeyWACCOQGTPUGDHQ-UHFFFAOYSA-N
XLogP1.92
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 51.92
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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Related Compounds

2-amino-6-[ethyl(2-methylbutyl)amino]-2-methylhexan-1-ol
CID 79471006
2-amino-5-[ethyl(2-ethylbutyl)amino]-2-methylpentan-1-ol
CID 64826939
6-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)hexan-1-ol
CID 102998419
2-amino-2-methylhexadecan-1-ol
CID 87201246
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
2-amino-6-[cyclopropyl(propyl)amino]-2-methylhexan-1-ol
CID 64796819
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol
CID 102998403
6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
2-amino-5-[butan-2-yl(methyl)amino]-2-methylpentan-1-ol
CID 64797842
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
CID 106712213

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol (CID 102998428) is 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol is CCN(CC)CCCN(CC)CCCCC(C)(N)CO.
What is the InChIKey of 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol?
The InChIKey is WACCOQGTPUGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3O/c1-5-18(6-2)13-10-14-19(7-3)12-9-8-11-16(4,17)15-20/h20H,5-15,17H2,1-4H3.
What are the key properties of 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol?
2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol has a molecular weight of 287.49 g/mol, XLogP of 1.92, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol is sourced from PubChem (CID 102998428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).