1-(2-ethylhexoxy)propan-2-amine

C11H25NO — CID 43127668

IUPAC1-(2-ethylhexoxy)propan-2-amine
SMILESCCCCC(CC)COCC(C)N
InChIInChI=1S/C11H25NO/c1-4-6-7-11(5-2)9-13-8-10(3)12/h10-11H,4-9,12H2,1-3H3
InChIKeyJUOCEUBMCVNARD-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds8

About 1-(2-ethylhexoxy)propan-2-amine

1-(2-ethylhexoxy)propan-2-amine (PubChem CID 43127668) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-ethylhexoxy)propan-2-amine
PubChem CID43127668
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(2-ethylhexoxy)propan-2-amine
SMILESCCCCC(CC)COCC(C)N
InChIInChI=1S/C11H25NO/c1-4-6-7-11(5-2)9-13-8-10(3)12/h10-11H,4-9,12H2,1-3H3
InChIKeyJUOCEUBMCVNARD-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylhexyl 3-aminopropyl ether
CID 21499
2-(Cyclopentylmethoxy)ethan-1-amine
CID 28305683
4-(Tetrahydro-2h-pyran-4-yl)butan-2-amine
CID 62386259
(2R)-1-ethoxy-4-methylpentan-2-amine
CID 57790395
2-(2-Ethylhexoxy)propan-1-amine
CID 53749876
1,3-Bis(2-ethylhexoxy)propan-2-amine
CID 222494
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-2-amine
CID 61647949
2-(2-Ethylhexoxy)-1,1,1-trifluoropentan-3-amine
CID 61647950
4-Methyl-1-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 103215038
4-Methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103215050
4-Ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103216105
3-Methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 107893790

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)propan-2-amine?
The IUPAC name of 1-(2-ethylhexoxy)propan-2-amine (CID 43127668) is 1-(2-ethylhexoxy)propan-2-amine.
What is the SMILES notation for 1-(2-ethylhexoxy)propan-2-amine?
The canonical SMILES for 1-(2-ethylhexoxy)propan-2-amine is CCCCC(CC)COCC(C)N.
What is the InChIKey of 1-(2-ethylhexoxy)propan-2-amine?
The InChIKey is JUOCEUBMCVNARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-7-11(5-2)9-13-8-10(3)12/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 1-(2-ethylhexoxy)propan-2-amine?
1-(2-ethylhexoxy)propan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)propan-2-amine is sourced from PubChem (CID 43127668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).