N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine

C10H22N2O — CID 123940849

IUPACN-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine
SMILESCNCCC(C)C1COCCN1C
InChIInChI=1S/C10H22N2O/c1-9(4-5-11-2)10-8-13-7-6-12(10)3/h9-11H,4-8H2,1-3H3
InChIKeyYMHWLWRLPALMKF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.56
Rot. Bonds4

About N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine

N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine (PubChem CID 123940849) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine
PubChem CID123940849
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine
SMILESCNCCC(C)C1COCCN1C
InChIInChI=1S/C10H22N2O/c1-9(4-5-11-2)10-8-13-7-6-12(10)3/h9-11H,4-8H2,1-3H3
InChIKeyYMHWLWRLPALMKF-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine (CID 123940849) is N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine is CNCCC(C)C1COCCN1C.
What is the InChIKey of N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine?
The InChIKey is YMHWLWRLPALMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(4-5-11-2)10-8-13-7-6-12(10)3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine?
N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylmorpholin-3-yl)butan-1-amine is sourced from PubChem (CID 123940849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).