6-[bis(3-methylbutyl)amino]hexan-3-ol

C16H35NO — CID 107870897

IUPAC6-[bis(3-methylbutyl)amino]hexan-3-ol
SMILESCCC(O)CCCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H35NO/c1-6-16(18)8-7-11-17(12-9-14(2)3)13-10-15(4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyMFBUPNMUUHUDGF-UHFFFAOYSA-N
MW257.46 g/mol
LogP3.93
Rot. Bonds11

About 6-[bis(3-methylbutyl)amino]hexan-3-ol

6-[bis(3-methylbutyl)amino]hexan-3-ol (PubChem CID 107870897) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 6-[bis(3-methylbutyl)amino]hexan-3-ol.

Molecular Properties

Compound Name6-[bis(3-methylbutyl)amino]hexan-3-ol
PubChem CID107870897
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name6-[bis(3-methylbutyl)amino]hexan-3-ol
SMILESCCC(O)CCCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H35NO/c1-6-16(18)8-7-11-17(12-9-14(2)3)13-10-15(4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyMFBUPNMUUHUDGF-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-10-methylundecan-3-ol
CID 164999222
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
CID 139910076
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
nonane-3,7-diol
CID 22141483
6-[cyclopentyl(2-methylpropyl)amino]hexan-3-ol
CID 106802461
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
ethane;heptan-3-ol;yttrium
CID 178141983
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N-(4-methylpentyl)-N-octyloctan-1-amine
CID 139723154
N,N-bis(4-methylpentyl)nonan-1-amine
CID 139723744
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718

Frequently Asked Questions

What is the IUPAC name of 6-[bis(3-methylbutyl)amino]hexan-3-ol?
The IUPAC name of 6-[bis(3-methylbutyl)amino]hexan-3-ol (CID 107870897) is 6-[bis(3-methylbutyl)amino]hexan-3-ol.
What is the SMILES notation for 6-[bis(3-methylbutyl)amino]hexan-3-ol?
The canonical SMILES for 6-[bis(3-methylbutyl)amino]hexan-3-ol is CCC(O)CCCN(CCC(C)C)CCC(C)C.
What is the InChIKey of 6-[bis(3-methylbutyl)amino]hexan-3-ol?
The InChIKey is MFBUPNMUUHUDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-6-16(18)8-7-11-17(12-9-14(2)3)13-10-15(4)5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 6-[bis(3-methylbutyl)amino]hexan-3-ol?
6-[bis(3-methylbutyl)amino]hexan-3-ol has a molecular weight of 257.46 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(3-methylbutyl)amino]hexan-3-ol is sourced from PubChem (CID 107870897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).