1-(2-ethylpentylamino)pentan-2-ol

C12H27NO — CID 163393194

IUPAC1-(2-ethylpentylamino)pentan-2-ol
SMILESCCCC(O)CNCC(CC)CCC
InChIInChI=1S/C12H27NO/c1-4-7-11(6-3)9-13-10-12(14)8-5-2/h11-14H,4-10H2,1-3H3
InChIKeyQFCGIJVOKRMUJB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds9

About 1-(2-ethylpentylamino)pentan-2-ol

1-(2-ethylpentylamino)pentan-2-ol (PubChem CID 163393194) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-(2-ethylpentylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(2-ethylpentylamino)pentan-2-ol
PubChem CID163393194
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-(2-ethylpentylamino)pentan-2-ol
SMILESCCCC(O)CNCC(CC)CCC
InChIInChI=1S/C12H27NO/c1-4-7-11(6-3)9-13-10-12(14)8-5-2/h11-14H,4-10H2,1-3H3
InChIKeyQFCGIJVOKRMUJB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol
CID 90097006
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
CID 107152038
3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
CID 106932322
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
CID 175293817
1-[[4,8-bis(aminomethyl)-2-[2,4-bis(aminomethyl)hexyl]-6-methyldecyl]amino]butan-2-ol;4,6,8,10-tetrakis(aminomethyl)-2-ethyl-12-propyltridecane-1,13-diamine
CID 142218265
4-ethylheptane;methane
CID 143165373
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
1-(ethylamino)hexan-2-ol
CID 54078804
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
5-ethyloctan-2-ol
CID 20725141

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpentylamino)pentan-2-ol?
The IUPAC name of 1-(2-ethylpentylamino)pentan-2-ol (CID 163393194) is 1-(2-ethylpentylamino)pentan-2-ol.
What is the SMILES notation for 1-(2-ethylpentylamino)pentan-2-ol?
The canonical SMILES for 1-(2-ethylpentylamino)pentan-2-ol is CCCC(O)CNCC(CC)CCC.
What is the InChIKey of 1-(2-ethylpentylamino)pentan-2-ol?
The InChIKey is QFCGIJVOKRMUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-11(6-3)9-13-10-12(14)8-5-2/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylpentylamino)pentan-2-ol?
1-(2-ethylpentylamino)pentan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpentylamino)pentan-2-ol is sourced from PubChem (CID 163393194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).