1-(tert-butylamino)-3-methylhexan-2-ol

C11H25NO — CID 62774337

IUPAC1-(tert-butylamino)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-7-9(2)10(13)8-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyQGDHWPGRARILHP-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds5

About 1-(tert-butylamino)-3-methylhexan-2-ol

1-(tert-butylamino)-3-methylhexan-2-ol (PubChem CID 62774337) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-methylhexan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-methylhexan-2-ol
PubChem CID62774337
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(tert-butylamino)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-7-9(2)10(13)8-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyQGDHWPGRARILHP-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-methyl-2-propylhexan-1-amine
CID 107897126
N-tert-butyl-2-ethyl-3-methylhexan-1-amine
CID 107897145
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
1-(tert-butylamino)-3-ethylpentan-2-ol
CID 62775304
(4R)-4-methylheptan-3-ol
CID 12799251
1-N-tert-butyl-3-N,2-dimethyl-3-N-pentan-2-ylbutane-1,3-diamine
CID 79409030
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-(tert-butylamino)octan-2-ol
CID 62774713
3-methyl-3-(4-methylheptan-3-ylamino)butan-2-ol
CID 115922962
N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine
CID 107887241
(2R)-3-methylhexan-2-ol
CID 88692749
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-methylhexan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-methylhexan-2-ol (CID 62774337) is 1-(tert-butylamino)-3-methylhexan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-methylhexan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-methylhexan-2-ol is CCCC(C)C(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-methylhexan-2-ol?
The InChIKey is QGDHWPGRARILHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-9(2)10(13)8-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-methylhexan-2-ol?
1-(tert-butylamino)-3-methylhexan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-methylhexan-2-ol is sourced from PubChem (CID 62774337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).