4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine

C18H40N2O — CID 91248869

IUPAC4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine
SMILESCCCCN1CCOCC1.CCN(CC)CCCC(C)C
InChIInChI=1S/C10H23N.C8H17NO/c1-5-11(6-2)9-7-8-10(3)4;1-2-3-4-9-5-7-10-8-6-9/h10H,5-9H2,1-4H3;2-8H2,1H3
InChIKeyJRQQOMOQEOTVOJ-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.88
Rot. Bonds9

About 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine

4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine (PubChem CID 91248869) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine
PubChem CID91248869
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine
SMILESCCCCN1CCOCC1.CCN(CC)CCCC(C)C
InChIInChI=1S/C10H23N.C8H17NO/c1-5-11(6-2)9-7-8-10(3)4;1-2-3-4-9-5-7-10-8-6-9/h10H,5-9H2,1-4H3;2-8H2,1H3
InChIKeyJRQQOMOQEOTVOJ-UHFFFAOYSA-N
XLogP3.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine?
The IUPAC name of 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine (CID 91248869) is 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine.
What is the SMILES notation for 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine?
The canonical SMILES for 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine is CCCCN1CCOCC1.CCN(CC)CCCC(C)C.
What is the InChIKey of 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine?
The InChIKey is JRQQOMOQEOTVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C8H17NO/c1-5-11(6-2)9-7-8-10(3)4;1-2-3-4-9-5-7-10-8-6-9/h10H,5-9H2,1-4H3;2-8H2,1H3.
What are the key properties of 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine?
4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine is sourced from PubChem (CID 91248869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).