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

C12H28ClNO — CID 3049084

IUPAC2-(4-propylheptan-4-ylamino)ethanol;hydrochloride
SMILESCCCC(CCC)(CCC)NCCO.Cl
InChIInChI=1S/C12H27NO.ClH/c1-4-7-12(8-5-2,9-6-3)13-10-11-14;/h13-14H,4-11H2,1-3H3;1H
InChIKeyZSFOXJNXBJPXFW-UHFFFAOYSA-N
MW237.81 g/mol
LogP3.13
Rot. Bonds9

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

2-(4-propylheptan-4-ylamino)ethanol;hydrochloride (PubChem CID 3049084) has the molecular formula C12H28ClNO and a molecular weight of 237.81 g/mol. Its IUPAC name is 2-(4-propylheptan-4-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(4-propylheptan-4-ylamino)ethanol;hydrochloride
PubChem CID3049084
Molecular FormulaC12H28ClNO
Molecular Weight237.81 g/mol
Exact Mass237.19
IUPAC Name2-(4-propylheptan-4-ylamino)ethanol;hydrochloride
SMILESCCCC(CCC)(CCC)NCCO.Cl
InChIInChI=1S/C12H27NO.ClH/c1-4-7-12(8-5-2,9-6-3)13-10-11-14;/h13-14H,4-11H2,1-3H3;1H
InChIKeyZSFOXJNXBJPXFW-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.81
LogP ≤ 53.13
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;hydrochloride?
The IUPAC name of 2-(4-propylheptan-4-ylamino)ethanol;hydrochloride (CID 3049084) is 2-(4-propylheptan-4-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 2-(4-propylheptan-4-ylamino)ethanol;hydrochloride?
The canonical SMILES for 2-(4-propylheptan-4-ylamino)ethanol;hydrochloride is CCCC(CCC)(CCC)NCCO.Cl.
What is the InChIKey of 2-(4-propylheptan-4-ylamino)ethanol;hydrochloride?
The InChIKey is ZSFOXJNXBJPXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO.ClH/c1-4-7-12(8-5-2,9-6-3)13-10-11-14;/h13-14H,4-11H2,1-3H3;1H.
What are the key properties of 2-(4-propylheptan-4-ylamino)ethanol;hydrochloride?
2-(4-propylheptan-4-ylamino)ethanol;hydrochloride has a molecular weight of 237.81 g/mol, XLogP of 3.13, 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;hydrochloride is sourced from PubChem (CID 3049084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).