1-butoxy-N-methylethanamine;ethane

C9H23NO — CID 144998639

IUPAC1-butoxy-N-methylethanamine;ethane
SMILESCC.CCCCOC(C)NC
InChIInChI=1S/C7H17NO.C2H6/c1-4-5-6-9-7(2)8-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyTYECOJGJCRVVEP-UHFFFAOYSA-N
MW161.29 g/mol
LogP2.39
Rot. Bonds5

About 1-butoxy-N-methylethanamine;ethane

1-butoxy-N-methylethanamine;ethane (PubChem CID 144998639) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is 1-butoxy-N-methylethanamine;ethane.

Molecular Properties

Compound Name1-butoxy-N-methylethanamine;ethane
PubChem CID144998639
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Name1-butoxy-N-methylethanamine;ethane
SMILESCC.CCCCOC(C)NC
InChIInChI=1S/C7H17NO.C2H6/c1-4-5-6-9-7(2)8-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyTYECOJGJCRVVEP-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-decoxy-N-(1-decoxyethyl)ethanamine
CID 173191939
1-ethoxy-N-methylethanamine
CID 57089902
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
2-butoxyhexane;ethane
CID 144590910
N-ethyl-1-hexoxyethanamine
CID 22450267
2-butoxy-N-ethylpropan-1-amine
CID 62449884
1,1,4,4-tetrabutoxybutane
CID 139887225
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine
CID 104560997
1-butoxybutane;N-methylmethanamine
CID 88830911
1-butoxyethoxymethanol
CID 19047949

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N-methylethanamine;ethane?
The IUPAC name of 1-butoxy-N-methylethanamine;ethane (CID 144998639) is 1-butoxy-N-methylethanamine;ethane.
What is the SMILES notation for 1-butoxy-N-methylethanamine;ethane?
The canonical SMILES for 1-butoxy-N-methylethanamine;ethane is CC.CCCCOC(C)NC.
What is the InChIKey of 1-butoxy-N-methylethanamine;ethane?
The InChIKey is TYECOJGJCRVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C2H6/c1-4-5-6-9-7(2)8-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of 1-butoxy-N-methylethanamine;ethane?
1-butoxy-N-methylethanamine;ethane has a molecular weight of 161.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-N-methylethanamine;ethane is sourced from PubChem (CID 144998639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).