1-butoxybutane;N-methylmethanamine

C10H25NO — CID 88830911

IUPAC1-butoxybutane;N-methylmethanamine
SMILESCCCCOCCCC.CNC
InChIInChI=1S/C8H18O.C2H7N/c1-3-5-7-9-8-6-4-2;1-3-2/h3-8H2,1-2H3;3H,1-2H3
InChIKeyRHFCGGTZJBTMJJ-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.44
Rot. Bonds6

About 1-butoxybutane;N-methylmethanamine

1-butoxybutane;N-methylmethanamine (PubChem CID 88830911) has the molecular formula C10H25NO and a molecular weight of 175.32 g/mol. Its IUPAC name is 1-butoxybutane;N-methylmethanamine.

Molecular Properties

Compound Name1-butoxybutane;N-methylmethanamine
PubChem CID88830911
Molecular FormulaC10H25NO
Molecular Weight175.32 g/mol
Exact Mass175.19
IUPAC Name1-butoxybutane;N-methylmethanamine
SMILESCCCCOCCCC.CNC
InChIInChI=1S/C8H18O.C2H7N/c1-3-5-7-9-8-6-4-2;1-3-2/h3-8H2,1-2H3;3H,1-2H3
InChIKeyRHFCGGTZJBTMJJ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-butoxypentane;niobium
CID 175363169
azane;1-propoxybutane
CID 87292575
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1,10-bis(2-butoxyethoxy)decane
CID 90257337
CID 159860963
CID 159860963
1-butoxydotriacontane
CID 91693232
methane;1-propoxybutane
CID 162202436

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;N-methylmethanamine?
The IUPAC name of 1-butoxybutane;N-methylmethanamine (CID 88830911) is 1-butoxybutane;N-methylmethanamine.
What is the SMILES notation for 1-butoxybutane;N-methylmethanamine?
The canonical SMILES for 1-butoxybutane;N-methylmethanamine is CCCCOCCCC.CNC.
What is the InChIKey of 1-butoxybutane;N-methylmethanamine?
The InChIKey is RHFCGGTZJBTMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C2H7N/c1-3-5-7-9-8-6-4-2;1-3-2/h3-8H2,1-2H3;3H,1-2H3.
What are the key properties of 1-butoxybutane;N-methylmethanamine?
1-butoxybutane;N-methylmethanamine has a molecular weight of 175.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;N-methylmethanamine is sourced from PubChem (CID 88830911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).