3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine

C14H31NO2 — CID 116721716

IUPAC3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine
SMILESCCCNC(COC(C)C)C(OCC)C(C)C
InChIInChI=1S/C14H31NO2/c1-7-9-15-13(10-17-12(5)6)14(11(3)4)16-8-2/h11-15H,7-10H2,1-6H3
InChIKeySKHISILFLNCENC-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.84
Rot. Bonds10

About 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine

3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine (PubChem CID 116721716) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine
PubChem CID116721716
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine
SMILESCCCNC(COC(C)C)C(OCC)C(C)C
InChIInChI=1S/C14H31NO2/c1-7-9-15-13(10-17-12(5)6)14(11(3)4)16-8-2/h11-15H,7-10H2,1-6H3
InChIKeySKHISILFLNCENC-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
CID 116721629
3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
CID 79617443
4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103312155
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721640
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
N-(1-ethoxyethyl)propan-1-amine
CID 23317827
1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 79575196
3-ethoxy-N-ethyl-2,6-dimethylnonan-4-amine
CID 116721431
2-ethoxy-4-methyl-N-propylpentan-3-amine
CID 64535427
2-ethoxy-N-propylnonan-3-amine
CID 64532611

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine (CID 116721716) is 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine is CCCNC(COC(C)C)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine?
The InChIKey is SKHISILFLNCENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-7-9-15-13(10-17-12(5)6)14(11(3)4)16-8-2/h11-15H,7-10H2,1-6H3.
What are the key properties of 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine?
3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine is sourced from PubChem (CID 116721716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).