6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol

C13H29NO — CID 106802317

IUPAC6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol
SMILESCCC(O)CCCN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-12(15)9-8-10-14(6)11(2)13(3,4)5/h11-12,15H,7-10H2,1-6H3
InChIKeySHSZOZLJCMMDOU-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.90
Rot. Bonds6

About 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol

6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol (PubChem CID 106802317) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol.

Molecular Properties

Compound Name6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol
PubChem CID106802317
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol
SMILESCCC(O)CCCN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-12(15)9-8-10-14(6)11(2)13(3,4)5/h11-12,15H,7-10H2,1-6H3
InChIKeySHSZOZLJCMMDOU-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine
CID 106799622
3,3-dimethylbutan-2-yl(3-hydroxypentyl)carbamic acid
CID 87317244
nonane-3,7-diol
CID 22141483
6-[bis(3-methylbutyl)amino]hexan-3-ol
CID 107870897
5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile
CID 65257362
6-[methyl(3,3,3-trifluoropropyl)amino]hexan-3-ol
CID 106802444
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
CID 76912512
5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide
CID 63585409
(3R)-10-methylundecan-3-ol
CID 164999222
7-methylnonan-3-ol
CID 64515833

Frequently Asked Questions

What is the IUPAC name of 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol?
The IUPAC name of 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol (CID 106802317) is 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol.
What is the SMILES notation for 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol?
The canonical SMILES for 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol is CCC(O)CCCN(C)C(C)C(C)(C)C.
What is the InChIKey of 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol?
The InChIKey is SHSZOZLJCMMDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-12(15)9-8-10-14(6)11(2)13(3,4)5/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol?
6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol has a molecular weight of 215.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol is sourced from PubChem (CID 106802317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).