1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine

C12H22N2O — CID 79665940

IUPAC1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)C1CN(C(C)C)CCO1
InChIInChI=1S/C12H22N2O/c1-4-5-6-11(13)12-9-14(10(2)3)7-8-15-12/h10-12H,6-9,13H2,1-3H3
InChIKeyZMNWLLVDKYPUFO-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.84
Rot. Bonds3

About 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine

1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine (PubChem CID 79665940) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine
PubChem CID79665940
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)C1CN(C(C)C)CCO1
InChIInChI=1S/C12H22N2O/c1-4-5-6-11(13)12-9-14(10(2)3)7-8-15-12/h10-12H,6-9,13H2,1-3H3
InChIKeyZMNWLLVDKYPUFO-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine
CID 114190308
1-(4-propan-2-ylmorpholin-2-yl)decan-1-amine
CID 79664269
1-(1,4-oxathian-2-yl)pent-3-yn-1-amine
CID 79963123
1-(4-propan-2-ylmorpholin-2-yl)ethanol
CID 79663544
2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663107
2-(2-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665755
1-(4-but-2-ynylmorpholin-2-yl)ethanamine
CID 115315665
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665184
4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 66233245
phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665193
2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663557

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine?
The IUPAC name of 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine (CID 79665940) is 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine?
The canonical SMILES for 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine is CC#CCC(N)C1CN(C(C)C)CCO1.
What is the InChIKey of 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine?
The InChIKey is ZMNWLLVDKYPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-6-11(13)12-9-14(10(2)3)7-8-15-12/h10-12H,6-9,13H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine?
1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine is sourced from PubChem (CID 79665940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).