N-methylmorpholin-4-amine

C5H12N2O — CID 15711516

IUPACN-methylmorpholin-4-amine
SMILESCNN1CCOCC1
InChIInChI=1S/C5H12N2O/c1-6-7-2-4-8-5-3-7/h6H,2-5H2,1H3
InChIKeyBMYUOHROMQSSBD-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.55
Rot. Bonds1

About N-methylmorpholin-4-amine

N-methylmorpholin-4-amine (PubChem CID 15711516) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-methylmorpholin-4-amine.

Molecular Properties

Compound NameN-methylmorpholin-4-amine
PubChem CID15711516
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-methylmorpholin-4-amine
SMILESCNN1CCOCC1
InChIInChI=1S/C5H12N2O/c1-6-7-2-4-8-5-3-7/h6H,2-5H2,1H3
InChIKeyBMYUOHROMQSSBD-UHFFFAOYSA-N
XLogP-0.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118469677
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CID 132038675
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CID 151563338
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CID 11984517
CID 11984517

Frequently Asked Questions

What is the IUPAC name of N-methylmorpholin-4-amine?
The IUPAC name of N-methylmorpholin-4-amine (CID 15711516) is N-methylmorpholin-4-amine.
What is the SMILES notation for N-methylmorpholin-4-amine?
The canonical SMILES for N-methylmorpholin-4-amine is CNN1CCOCC1.
What is the InChIKey of N-methylmorpholin-4-amine?
The InChIKey is BMYUOHROMQSSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-6-7-2-4-8-5-3-7/h6H,2-5H2,1H3.
What are the key properties of N-methylmorpholin-4-amine?
N-methylmorpholin-4-amine has a molecular weight of 116.16 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmorpholin-4-amine is sourced from PubChem (CID 15711516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).