3-[2-(aminomethyl)morpholin-4-yl]propanamide

C8H17N3O2 — CID 61336433

IUPAC3-[2-(aminomethyl)morpholin-4-yl]propanamide
SMILESNCC1CN(CCC(N)=O)CCO1
InChIInChI=1S/C8H17N3O2/c9-5-7-6-11(3-4-13-7)2-1-8(10)12/h7H,1-6,9H2,(H2,10,12)
InChIKeyJWMVYOKMYSGSLT-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.48
Rot. Bonds4

About 3-[2-(aminomethyl)morpholin-4-yl]propanamide

3-[2-(aminomethyl)morpholin-4-yl]propanamide (PubChem CID 61336433) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[2-(aminomethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)morpholin-4-yl]propanamide
PubChem CID61336433
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-[2-(aminomethyl)morpholin-4-yl]propanamide
SMILESNCC1CN(CCC(N)=O)CCO1
InChIInChI=1S/C8H17N3O2/c9-5-7-6-11(3-4-13-7)2-1-8(10)12/h7H,1-6,9H2,(H2,10,12)
InChIKeyJWMVYOKMYSGSLT-UHFFFAOYSA-N
XLogP-1.48
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide
CID 114398749
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
CID 61336630
4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide
CID 114398814
2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
[4-(2-propan-2-ylsulfonylethyl)morpholin-2-yl]methanamine
CID 104920922
1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone
CID 114395313
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]propanamide?
The IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]propanamide (CID 61336433) is 3-[2-(aminomethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for 3-[2-(aminomethyl)morpholin-4-yl]propanamide?
The canonical SMILES for 3-[2-(aminomethyl)morpholin-4-yl]propanamide is NCC1CN(CCC(N)=O)CCO1.
What is the InChIKey of 3-[2-(aminomethyl)morpholin-4-yl]propanamide?
The InChIKey is JWMVYOKMYSGSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-5-7-6-11(3-4-13-7)2-1-8(10)12/h7H,1-6,9H2,(H2,10,12).
What are the key properties of 3-[2-(aminomethyl)morpholin-4-yl]propanamide?
3-[2-(aminomethyl)morpholin-4-yl]propanamide has a molecular weight of 187.24 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 61336433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).