3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol

C14H31NO — CID 123990768

IUPAC3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol
SMILESCCCCC(CC)(C(C)C)C(O)CNCC
InChIInChI=1S/C14H31NO/c1-6-9-10-14(7-2,12(4)5)13(16)11-15-8-3/h12-13,15-16H,6-11H2,1-5H3
InChIKeyOJFILWQTJHRWFN-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.20
Rot. Bonds9

About 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol

3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol (PubChem CID 123990768) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol
PubChem CID123990768
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol
SMILESCCCCC(CC)(C(C)C)C(O)CNCC
InChIInChI=1S/C14H31NO/c1-6-9-10-14(7-2,12(4)5)13(16)11-15-8-3/h12-13,15-16H,6-11H2,1-5H3
InChIKeyOJFILWQTJHRWFN-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3,7,11-Trimethyl-1-(methylamino)dodecan-2-ol
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1,3-Bis(6-aminohexylamino)-4,4,5-trimethylnonan-2-ol
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1-(2-Ethylhexylamino)propan-2-ol
CID 20444817
4,5-Dimethyl-2-(methylamino)heptan-3-ol
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol?
The IUPAC name of 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol (CID 123990768) is 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol.
What is the SMILES notation for 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol?
The canonical SMILES for 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol is CCCCC(CC)(C(C)C)C(O)CNCC.
What is the InChIKey of 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol?
The InChIKey is OJFILWQTJHRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-9-10-14(7-2,12(4)5)13(16)11-15-8-3/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol?
3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol is sourced from PubChem (CID 123990768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).