ethane;3-ethoxy-N-methylbutan-1-amine

C9H23NO — CID 172587182

IUPACethane;3-ethoxy-N-methylbutan-1-amine
SMILESCC.CCOC(C)CCNC
InChIInChI=1S/C7H17NO.C2H6/c1-4-9-7(2)5-6-8-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyHKWHLNQFDHVBQL-UHFFFAOYSA-N
MW161.29 g/mol
LogP2.05
Rot. Bonds5

About ethane;3-ethoxy-N-methylbutan-1-amine

ethane;3-ethoxy-N-methylbutan-1-amine (PubChem CID 172587182) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is ethane;3-ethoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Nameethane;3-ethoxy-N-methylbutan-1-amine
PubChem CID172587182
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Nameethane;3-ethoxy-N-methylbutan-1-amine
SMILESCC.CCOC(C)CCNC
InChIInChI=1S/C7H17NO.C2H6/c1-4-9-7(2)5-6-8-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyHKWHLNQFDHVBQL-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663
N,3-dimethylpentan-1-amine;ethane
CID 142089517
4-ethoxy-N-propylpentan-1-amine
CID 62446191
N-methyl-3-(trifluoromethoxy)butan-1-amine
CID 178126926
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
1-chloro-4-ethoxypentane
CID 90797429
2-ethoxytridecane
CID 54143367
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
3-propoxy-N-(3-propoxybutyl)butan-1-amine
CID 88850441
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
1-N,3-dimethylheptane-1,6-diamine;ethane
CID 145117681

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxy-N-methylbutan-1-amine?
The IUPAC name of ethane;3-ethoxy-N-methylbutan-1-amine (CID 172587182) is ethane;3-ethoxy-N-methylbutan-1-amine.
What is the SMILES notation for ethane;3-ethoxy-N-methylbutan-1-amine?
The canonical SMILES for ethane;3-ethoxy-N-methylbutan-1-amine is CC.CCOC(C)CCNC.
What is the InChIKey of ethane;3-ethoxy-N-methylbutan-1-amine?
The InChIKey is HKWHLNQFDHVBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C2H6/c1-4-9-7(2)5-6-8-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethoxy-N-methylbutan-1-amine?
ethane;3-ethoxy-N-methylbutan-1-amine has a molecular weight of 161.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxy-N-methylbutan-1-amine is sourced from PubChem (CID 172587182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).