1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol

C18H40N2O2 — CID 21332431

IUPAC1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNCCCCCCNCC(O)C(C)(C)C
InChIInChI=1S/C18H40N2O2/c1-17(2,3)15(21)13-19-11-9-7-8-10-12-20-14-16(22)18(4,5)6/h15-16,19-22H,7-14H2,1-6H3
InChIKeyOOHLLFGTAMMNAU-UHFFFAOYSA-N
MW316.53 g/mol
LogP2.54
Rot. Bonds11

About 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol

1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol (PubChem CID 21332431) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol
PubChem CID21332431
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC Name1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNCCCCCCNCC(O)C(C)(C)C
InChIInChI=1S/C18H40N2O2/c1-17(2,3)15(21)13-19-11-9-7-8-10-12-20-14-16(22)18(4,5)6/h15-16,19-22H,7-14H2,1-6H3
InChIKeyOOHLLFGTAMMNAU-UHFFFAOYSA-N
XLogP2.54
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-3-(pentylamino)propan-2-ol
CID 63900220
3,3-dimethyl-1-(methylamino)butan-2-ol
CID 15635078
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
2,2,11,11-tetramethyldodecane-3,10-diol
CID 86054845
2-(octadecylamino)ethane-1,1-diol;hydrate
CID 173098579
[2-(heptylamino)-1-trihydroxyphosphaniumylethyl]-trihydroxyphosphanium
CID 78225533
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
2-(heptadecylamino)ethane-1,1-diol;hydrobromide
CID 175162321
3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
CID 107815634

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol (CID 21332431) is 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CNCCCCCCNCC(O)C(C)(C)C.
What is the InChIKey of 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is OOHLLFGTAMMNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2/c1-17(2,3)15(21)13-19-11-9-7-8-10-12-20-14-16(22)18(4,5)6/h15-16,19-22H,7-14H2,1-6H3.
What are the key properties of 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol?
1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 316.53 g/mol, XLogP of 2.54, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-hydroxy-3,3-dimethylbutyl)amino]hexylamino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 21332431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).