3-amino-2-morpholin-4-ylpropanal

C7H14N2O2 — CID 174706845

IUPAC3-amino-2-morpholin-4-ylpropanal
SMILESNCC(C=O)N1CCOCC1
InChIInChI=1S/C7H14N2O2/c8-5-7(6-10)9-1-3-11-4-2-9/h6-7H,1-5,8H2
InChIKeyVKPZKRZSEORGAS-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.16
Rot. Bonds3

About 3-amino-2-morpholin-4-ylpropanal

3-amino-2-morpholin-4-ylpropanal (PubChem CID 174706845) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-amino-2-morpholin-4-ylpropanal.

Molecular Properties

Compound Name3-amino-2-morpholin-4-ylpropanal
PubChem CID174706845
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-amino-2-morpholin-4-ylpropanal
SMILESNCC(C=O)N1CCOCC1
InChIInChI=1S/C7H14N2O2/c8-5-7(6-10)9-1-3-11-4-2-9/h6-7H,1-5,8H2
InChIKeyVKPZKRZSEORGAS-UHFFFAOYSA-N
XLogP-1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-piperidin-1-ylpropanal
CID 131967781
4-hydroxy-2-morpholin-4-ylbutanal
CID 87837145
2-chloro-2-morpholin-4-ylacetaldehyde
CID 87774455
(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538
3-amino-2-(3-methylpiperidin-1-yl)propanal
CID 174430520
3-morpholin-4-ylhex-1-en-5-yn-1-one
CID 173071137
ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate
CID 57320691
4-hex-1-en-3-ylmorpholine
CID 11263737
4,4-dimethyl-2-morpholin-4-ylpentan-1-amine
CID 62951910
2-morpholin-4-yl-3-propan-2-yloxypropan-1-amine
CID 119093890
(1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate
CID 87464062
4-(1-methylsulfinylpropan-2-yl)morpholine
CID 173186907

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-morpholin-4-ylpropanal?
The IUPAC name of 3-amino-2-morpholin-4-ylpropanal (CID 174706845) is 3-amino-2-morpholin-4-ylpropanal.
What is the SMILES notation for 3-amino-2-morpholin-4-ylpropanal?
The canonical SMILES for 3-amino-2-morpholin-4-ylpropanal is NCC(C=O)N1CCOCC1.
What is the InChIKey of 3-amino-2-morpholin-4-ylpropanal?
The InChIKey is VKPZKRZSEORGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-5-7(6-10)9-1-3-11-4-2-9/h6-7H,1-5,8H2.
What are the key properties of 3-amino-2-morpholin-4-ylpropanal?
3-amino-2-morpholin-4-ylpropanal has a molecular weight of 158.20 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-morpholin-4-ylpropanal is sourced from PubChem (CID 174706845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).