N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine

C12H24N2O — CID 79664293

IUPACN-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1CN(C(C)C)CCO1
InChIInChI=1S/C12H24N2O/c1-5-6-11(13-4)12-9-14(10(2)3)7-8-15-12/h5,10-13H,1,6-9H2,2-4H3
InChIKeyOEJIGZLSTMJNTP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds5

About N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine

N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine (PubChem CID 79664293) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine
PubChem CID79664293
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1CN(C(C)C)CCO1
InChIInChI=1S/C12H24N2O/c1-5-6-11(13-4)12-9-14(10(2)3)7-8-15-12/h5,10-13H,1,6-9H2,2-4H3
InChIKeyOEJIGZLSTMJNTP-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-ylmorpholin-2-yl)-N-propylpent-4-en-1-amine
CID 79663133
N-methyl-1-(4-propan-2-ylmorpholin-2-yl)-2-propoxyethanamine
CID 79665967
1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine
CID 107009451
2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663116
1-(1,4-dioxan-2-yl)-N-methylbut-3-en-1-amine
CID 65352217
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665219
[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine
CID 105248190
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663311
N-[2-cyclopropyl-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79665414
1-(4-propan-2-ylmorpholin-2-yl)ethanol
CID 79663544
N,3-diethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 82923183

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine (CID 79664293) is N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine is C=CCC(NC)C1CN(C(C)C)CCO1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine?
The InChIKey is OEJIGZLSTMJNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-11(13-4)12-9-14(10(2)3)7-8-15-12/h5,10-13H,1,6-9H2,2-4H3.
What are the key properties of N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine?
N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine is sourced from PubChem (CID 79664293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).