1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol

C15H33NO — CID 107152038

IUPAC1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
SMILESCCCCC(CC)CNCC(O)CC(C)(C)C
InChIInChI=1S/C15H33NO/c1-6-8-9-13(7-2)11-16-12-14(17)10-15(3,4)5/h13-14,16-17H,6-12H2,1-5H3
InChIKeyLDMFMYSVJKFMQJ-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.59
Rot. Bonds9

About 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol

1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol (PubChem CID 107152038) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
PubChem CID107152038
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
SMILESCCCCC(CC)CNCC(O)CC(C)(C)C
InChIInChI=1S/C15H33NO/c1-6-8-9-13(7-2)11-16-12-14(17)10-15(3,4)5/h13-14,16-17H,6-12H2,1-5H3
InChIKeyLDMFMYSVJKFMQJ-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
1-(2-ethylpentylamino)pentan-2-ol
CID 163393194
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
N,2-diethylhexan-1-amine
CID 14272988
(6R,9R)-3,9-diethyltridecan-6-ol
CID 86308442
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
2,2-dimethyltetradecan-4-ol
CID 59659889
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol (CID 107152038) is 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol is CCCCC(CC)CNCC(O)CC(C)(C)C.
What is the InChIKey of 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is LDMFMYSVJKFMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-8-9-13(7-2)11-16-12-14(17)10-15(3,4)5/h13-14,16-17H,6-12H2,1-5H3.
What are the key properties of 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol?
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 243.43 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107152038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).