ethoxyethane;4-methylheptan-1-amine

C12H29NO — CID 18618987

IUPACethoxyethane;4-methylheptan-1-amine
SMILESCCCC(C)CCCN.CCOCC
InChIInChI=1S/C8H19N.C4H10O/c1-3-5-8(2)6-4-7-9;1-3-5-4-2/h8H,3-7,9H2,1-2H3;3-4H2,1-2H3
InChIKeyLLPIYIUUYPNMCK-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.20
Rot. Bonds7

About ethoxyethane;4-methylheptan-1-amine

ethoxyethane;4-methylheptan-1-amine (PubChem CID 18618987) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is ethoxyethane;4-methylheptan-1-amine.

Molecular Properties

Compound Nameethoxyethane;4-methylheptan-1-amine
PubChem CID18618987
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC Nameethoxyethane;4-methylheptan-1-amine
SMILESCCCC(C)CCCN.CCOCC
InChIInChI=1S/C8H19N.C4H10O/c1-3-5-8(2)6-4-7-9;1-3-5-4-2/h8H,3-7,9H2,1-2H3;3-4H2,1-2H3
InChIKeyLLPIYIUUYPNMCK-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;4-methylheptan-1-amine?
The IUPAC name of ethoxyethane;4-methylheptan-1-amine (CID 18618987) is ethoxyethane;4-methylheptan-1-amine.
What is the SMILES notation for ethoxyethane;4-methylheptan-1-amine?
The canonical SMILES for ethoxyethane;4-methylheptan-1-amine is CCCC(C)CCCN.CCOCC.
What is the InChIKey of ethoxyethane;4-methylheptan-1-amine?
The InChIKey is LLPIYIUUYPNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C4H10O/c1-3-5-8(2)6-4-7-9;1-3-5-4-2/h8H,3-7,9H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;4-methylheptan-1-amine?
ethoxyethane;4-methylheptan-1-amine has a molecular weight of 203.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;4-methylheptan-1-amine is sourced from PubChem (CID 18618987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).