2-(hexylamino)-2-methylbutan-1-ol

C11H25NO — CID 64550569

IUPAC2-(hexylamino)-2-methylbutan-1-ol
SMILESCCCCCCNC(C)(CC)CO
InChIInChI=1S/C11H25NO/c1-4-6-7-8-9-12-11(3,5-2)10-13/h12-13H,4-10H2,1-3H3
InChIKeyLIMPTYQTJYXTJS-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds8

About 2-(hexylamino)-2-methylbutan-1-ol

2-(hexylamino)-2-methylbutan-1-ol (PubChem CID 64550569) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(hexylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(hexylamino)-2-methylbutan-1-ol
PubChem CID64550569
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(hexylamino)-2-methylbutan-1-ol
SMILESCCCCCCNC(C)(CC)CO
InChIInChI=1S/C11H25NO/c1-4-6-7-8-9-12-11(3,5-2)10-13/h12-13H,4-10H2,1-3H3
InChIKeyLIMPTYQTJYXTJS-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
CID 103873312
N-heptyl-5-methylnonan-5-amine
CID 126560493
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
4-[(1-hydroxy-2-methylbutan-2-yl)amino]butanenitrile
CID 64549136
1-(octylamino)ethane-1,1,2-triol
CID 87504785
1,1-bis(octylamino)ethanol
CID 87347011
N-tert-butylnonadecan-1-amine
CID 87846739
2-(hexadecylamino)-2-methylpropan-1-ol;phosphoric acid
CID 174988177
2-(2-hydroxyethylamino)-2-methylhexan-1-ol
CID 146587998

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(hexylamino)-2-methylbutan-1-ol (CID 64550569) is 2-(hexylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(hexylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(hexylamino)-2-methylbutan-1-ol is CCCCCCNC(C)(CC)CO.
What is the InChIKey of 2-(hexylamino)-2-methylbutan-1-ol?
The InChIKey is LIMPTYQTJYXTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-7-8-9-12-11(3,5-2)10-13/h12-13H,4-10H2,1-3H3.
What are the key properties of 2-(hexylamino)-2-methylbutan-1-ol?
2-(hexylamino)-2-methylbutan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64550569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).