2-(4-propylheptan-4-ylamino)ethanol

C12H27NO — CID 3049085

IUPAC2-(4-propylheptan-4-ylamino)ethanol
SMILESCCCC(CCC)(CCC)NCCO
InChIInChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-6-3)13-10-11-14/h13-14H,4-11H2,1-3H3
InChIKeyFXIVKTPYFKKNDC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.71
Rot. Bonds9

About 2-(4-propylheptan-4-ylamino)ethanol

2-(4-propylheptan-4-ylamino)ethanol (PubChem CID 3049085) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(4-propylheptan-4-ylamino)ethanol.

Molecular Properties

Compound Name2-(4-propylheptan-4-ylamino)ethanol
PubChem CID3049085
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(4-propylheptan-4-ylamino)ethanol
SMILESCCCC(CCC)(CCC)NCCO
InChIInChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-6-3)13-10-11-14/h13-14H,4-11H2,1-3H3
InChIKeyFXIVKTPYFKKNDC-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylheptan-4-ylamino)ethanol?
The IUPAC name of 2-(4-propylheptan-4-ylamino)ethanol (CID 3049085) is 2-(4-propylheptan-4-ylamino)ethanol.
What is the SMILES notation for 2-(4-propylheptan-4-ylamino)ethanol?
The canonical SMILES for 2-(4-propylheptan-4-ylamino)ethanol is CCCC(CCC)(CCC)NCCO.
What is the InChIKey of 2-(4-propylheptan-4-ylamino)ethanol?
The InChIKey is FXIVKTPYFKKNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-6-3)13-10-11-14/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-(4-propylheptan-4-ylamino)ethanol?
2-(4-propylheptan-4-ylamino)ethanol has a molecular weight of 201.35 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylheptan-4-ylamino)ethanol is sourced from PubChem (CID 3049085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).