3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine

C12H25NO — CID 146300663

IUPAC3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
SMILESC/C=C(\CCC)COC(C)CCNC
InChIInChI=1S/C12H25NO/c1-5-7-12(6-2)10-14-11(3)8-9-13-4/h6,11,13H,5,7-10H2,1-4H3/b12-6+
InChIKeyANXZBTKDHJRMCP-WUXMJOGZSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds8

About 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine

3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine (PubChem CID 146300663) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
PubChem CID146300663
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
SMILESC/C=C(\CCC)COC(C)CCNC
InChIInChI=1S/C12H25NO/c1-5-7-12(6-2)10-14-11(3)8-9-13-4/h6,11,13H,5,7-10H2,1-4H3/b12-6+
InChIKeyANXZBTKDHJRMCP-WUXMJOGZSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-ethoxy-N-methylbutan-1-amine
CID 172587182
N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine
CID 103075205
4-but-2-enoxy-N-methylpentan-1-amine
CID 76943760
2-[2-[2-[2-[4-(methylamino)butan-2-yloxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide
CID 147510471
N-methyl-3-(trifluoromethoxy)butan-1-amine
CID 178126926
3-propoxy-N-(3-propoxybutyl)butan-1-amine
CID 88850441
1-octan-2-yloxypentan-2-one
CID 62042507
2-(pentan-2-yloxymethyl)prop-2-en-1-amine
CID 103075204
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
(Z)-5-ethylidene-3-methyloct-2-ene
CID 143683733
N,3,6-trimethylnonan-1-amine
CID 139316935

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine?
The IUPAC name of 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine (CID 146300663) is 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine?
The canonical SMILES for 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine is C/C=C(\CCC)COC(C)CCNC.
What is the InChIKey of 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine?
The InChIKey is ANXZBTKDHJRMCP-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-12(6-2)10-14-11(3)8-9-13-4/h6,11,13H,5,7-10H2,1-4H3/b12-6+.
What are the key properties of 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine?
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 146300663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).