3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane

C15H35NO — CID 176984083

IUPAC3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane
SMILESCC.CCCCOC(C)CCN(CC)C(C)C
InChIInChI=1S/C13H29NO.C2H6/c1-6-8-11-15-13(5)9-10-14(7-2)12(3)4;1-2/h12-13H,6-11H2,1-5H3;1-2H3
InChIKeyHOFRDPCUEMAAQB-UHFFFAOYSA-N
MW245.45 g/mol
LogP4.34
Rot. Bonds9

About 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane

3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane (PubChem CID 176984083) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane.

Molecular Properties

Compound Name3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane
PubChem CID176984083
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC Name3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane
SMILESCC.CCCCOC(C)CCN(CC)C(C)C
InChIInChI=1S/C13H29NO.C2H6/c1-6-8-11-15-13(5)9-10-14(7-2)12(3)4;1-2/h12-13H,6-11H2,1-5H3;1-2H3
InChIKeyHOFRDPCUEMAAQB-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyhexane;ethane
CID 144590910
N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine
CID 139554732
3-butoxy-1-propoxybutane
CID 57175368
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-hexan-2-yloxydecane
CID 57029724
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine
CID 170083600
(E)-8-butoxynon-3-ene;ethane
CID 143984498
1-butan-2-yloxy-1-butoxybutane
CID 19964023
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane?
The IUPAC name of 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane (CID 176984083) is 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane.
What is the SMILES notation for 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane?
The canonical SMILES for 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane is CC.CCCCOC(C)CCN(CC)C(C)C.
What is the InChIKey of 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane?
The InChIKey is HOFRDPCUEMAAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO.C2H6/c1-6-8-11-15-13(5)9-10-14(7-2)12(3)4;1-2/h12-13H,6-11H2,1-5H3;1-2H3.
What are the key properties of 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane?
3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane has a molecular weight of 245.45 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane is sourced from PubChem (CID 176984083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).