(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine

C11H22N2O — CID 156564164

IUPAC(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
SMILESC/C=C(\C)NCCCN1CCOCC1
InChIInChI=1S/C11H22N2O/c1-3-11(2)12-5-4-6-13-7-9-14-10-8-13/h3,12H,4-10H2,1-2H3/b11-3+
InChIKeyHYOIKXUMLJBOOQ-QDEBKDIKSA-N
MW198.31 g/mol
LogP1.22
Rot. Bonds5

About (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine

(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine (PubChem CID 156564164) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
PubChem CID156564164
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
SMILESC/C=C(\C)NCCCN1CCOCC1
InChIInChI=1S/C11H22N2O/c1-3-11(2)12-5-4-6-13-7-9-14-10-8-13/h3,12H,4-10H2,1-2H3/b11-3+
InChIKeyHYOIKXUMLJBOOQ-QDEBKDIKSA-N
XLogP1.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-morpholin-4-ylethyl)but-2-en-2-amine
CID 143222411
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine?
The IUPAC name of (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine (CID 156564164) is (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine.
What is the SMILES notation for (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine?
The canonical SMILES for (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine is C/C=C(\C)NCCCN1CCOCC1.
What is the InChIKey of (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine?
The InChIKey is HYOIKXUMLJBOOQ-QDEBKDIKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-11(2)12-5-4-6-13-7-9-14-10-8-13/h3,12H,4-10H2,1-2H3/b11-3+.
What are the key properties of (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine?
(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine has a molecular weight of 198.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine is sourced from PubChem (CID 156564164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).