5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine

C15H28N2O — CID 114190308

IUPAC5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine
SMILESCC(C)N1CCOC(C(N)CC#CC(C)(C)C)C1
InChIInChI=1S/C15H28N2O/c1-12(2)17-9-10-18-14(11-17)13(16)7-6-8-15(3,4)5/h12-14H,7,9-11,16H2,1-5H3
InChIKeyQCIKRDAYMBXDNA-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.86
Rot. Bonds3

About 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine

5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine (PubChem CID 114190308) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine
PubChem CID114190308
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine
SMILESCC(C)N1CCOC(C(N)CC#CC(C)(C)C)C1
InChIInChI=1S/C15H28N2O/c1-12(2)17-9-10-18-14(11-17)13(16)7-6-8-15(3,4)5/h12-14H,7,9-11,16H2,1-5H3
InChIKeyQCIKRDAYMBXDNA-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-ylmorpholin-2-yl)pent-3-yn-1-amine
CID 79665940
1-(4-propan-2-ylmorpholin-2-yl)decan-1-amine
CID 79664269
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
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665184
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 79665225
phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183
5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine
CID 126973745
2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663557
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665193
2,3-dimethyl-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]butan-2-ol
CID 106189997

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine?
The IUPAC name of 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine (CID 114190308) is 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine.
What is the SMILES notation for 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine?
The canonical SMILES for 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine is CC(C)N1CCOC(C(N)CC#CC(C)(C)C)C1.
What is the InChIKey of 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine?
The InChIKey is QCIKRDAYMBXDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)17-9-10-18-14(11-17)13(16)7-6-8-15(3,4)5/h12-14H,7,9-11,16H2,1-5H3.
What are the key properties of 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine?
5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine has a molecular weight of 252.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)hex-3-yn-1-amine is sourced from PubChem (CID 114190308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).