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

C11H25NO — CID 62775304

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

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

1-(tert-butylamino)-3-ethylpentan-2-ol (PubChem CID 62775304) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-ethylpentan-2-ol
PubChem CID62775304
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(tert-butylamino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-9(7-2)10(13)8-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyKMFCKVZXJQMBSX-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

(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-(tert-butylamino)-3-methylhexan-2-ol
CID 62774337
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-2-methylpropane-1,3-diol
CID 106285929
1-N,2-N-ditert-butylbutane-1,2-diamine
CID 58903016
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
N-tert-butyl-2-ethyl-3-methylhexan-1-amine
CID 107897145
3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid
CID 106285731
ethane;4-ethylhexan-3-ol
CID 142939598
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
4-ethylhexane-1,3-diol
CID 57229845

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-ethylpentan-2-ol (CID 62775304) is 1-(tert-butylamino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-ethylpentan-2-ol?
The InChIKey is KMFCKVZXJQMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-9(7-2)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-ethylpentan-2-ol?
1-(tert-butylamino)-3-ethylpentan-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-ethylpentan-2-ol is sourced from PubChem (CID 62775304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).