4-(2-ethylhexoxy)butan-1-amine

C12H27NO — CID 18672815

IUPAC4-(2-ethylhexoxy)butan-1-amine
SMILESCCCCC(CC)COCCCCN
InChIInChI=1S/C12H27NO/c1-3-5-8-12(4-2)11-14-10-7-6-9-13/h12H,3-11,13H2,1-2H3
InChIKeyOGBVHJTVZONDIJ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds10

About 4-(2-ethylhexoxy)butan-1-amine

4-(2-ethylhexoxy)butan-1-amine (PubChem CID 18672815) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)butan-1-amine.

Molecular Properties

Compound Name4-(2-ethylhexoxy)butan-1-amine
PubChem CID18672815
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-(2-ethylhexoxy)butan-1-amine
SMILESCCCCC(CC)COCCCCN
InChIInChI=1S/C12H27NO/c1-3-5-8-12(4-2)11-14-10-7-6-9-13/h12H,3-11,13H2,1-2H3
InChIKeyOGBVHJTVZONDIJ-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexyl 3-aminopropyl ether
CID 21499
1-Propanamine, 3-(isooctyloxy)-
CID 110088
3-(Oxan-4-yl)propan-1-amine
CID 22272945
(2,6-Dimethyloxan-4-yl)methanamine
CID 81852973
[2-(2-Propoxyethyl)cyclopropyl]methanamine
CID 129172686
1-Pentanamine, 3-[(2-ethylhexyl)oxy]-
CID 19432124
2-(2-Ethylhexoxy)propan-1-amine
CID 53749876
1-(Oxan-4-yl)propan-1-amine
CID 56828166
3-(2,4,6-Trimethylheptoxy)propan-1-amine
CID 116672
2-[2-(2,2,2-Trifluoroethoxy)ethyl]pentan-1-amine
CID 62505560
(2-Isopropyltetrahydro-2H-pyran-4-yl)methanamine
CID 64100330
4-Ethoxy-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443596

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)butan-1-amine?
The IUPAC name of 4-(2-ethylhexoxy)butan-1-amine (CID 18672815) is 4-(2-ethylhexoxy)butan-1-amine.
What is the SMILES notation for 4-(2-ethylhexoxy)butan-1-amine?
The canonical SMILES for 4-(2-ethylhexoxy)butan-1-amine is CCCCC(CC)COCCCCN.
What is the InChIKey of 4-(2-ethylhexoxy)butan-1-amine?
The InChIKey is OGBVHJTVZONDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-5-8-12(4-2)11-14-10-7-6-9-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 4-(2-ethylhexoxy)butan-1-amine?
4-(2-ethylhexoxy)butan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)butan-1-amine is sourced from PubChem (CID 18672815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).