2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine

C12H27NO — CID 116727144

IUPAC2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)(C)OCC
InChIInChI=1S/C12H27NO/c1-7-9-13-11(10(3)4)12(5,6)14-8-2/h10-11,13H,7-9H2,1-6H3
InChIKeyLMSBSLRXXJGULL-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds7

About 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine

2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine (PubChem CID 116727144) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine
PubChem CID116727144
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)(C)OCC
InChIInChI=1S/C12H27NO/c1-7-9-13-11(10(3)4)12(5,6)14-8-2/h10-11,13H,7-9H2,1-6H3
InChIKeyLMSBSLRXXJGULL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-methyl-N-propylpentan-3-amine
CID 116727014
2-ethoxy-2-methyl-N-propylhept-5-yn-3-amine
CID 116727243
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
2-ethoxy-2-methyl-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 116727223
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
3-ethoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 116727125
5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
CID 103024809
1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727173
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
N-(1-ethoxyethyl)propan-1-amine
CID 23317827
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 114661534

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine?
The IUPAC name of 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine (CID 116727144) is 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine?
The canonical SMILES for 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine is CCCNC(C(C)C)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine?
The InChIKey is LMSBSLRXXJGULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-9-13-11(10(3)4)12(5,6)14-8-2/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine?
2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,4-dimethyl-N-propylpentan-3-amine is sourced from PubChem (CID 116727144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).