3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine

C16H28N2OS — CID 119160582

IUPAC3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
SMILESCC(C)(C)CCNCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)6-7-17-13-14(15-5-4-12-20-15)18-8-10-19-11-9-18/h4-5,12,14,17H,6-11,13H2,1-3H3
InChIKeyGRNIFEBDHFHXGA-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.15
Rot. Bonds6

About 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine

3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine (PubChem CID 119160582) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
PubChem CID119160582
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
SMILESCC(C)(C)CCNCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)6-7-17-13-14(15-5-4-12-20-15)18-8-10-19-11-9-18/h4-5,12,14,17H,6-11,13H2,1-3H3
InChIKeyGRNIFEBDHFHXGA-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-en-1-amine
CID 119160583
5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 127616527
1-tert-butyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110966180
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778587
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentanamine
CID 167947795
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
6-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 94003063
N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 17463435
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine (CID 119160582) is 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine is CC(C)(C)CCNCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine?
The InChIKey is GRNIFEBDHFHXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-16(2,3)6-7-17-13-14(15-5-4-12-20-15)18-8-10-19-11-9-18/h4-5,12,14,17H,6-11,13H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine?
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine is sourced from PubChem (CID 119160582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).