3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine

C16H28N2OS — CID 79927569

IUPAC3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
SMILESCN(CCc1cccs1)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H28N2OS/c1-14(2)11-16(12-17,15(3,4)19-14)18(5)9-8-13-7-6-10-20-13/h6-7,10H,8-9,11-12,17H2,1-5H3
InChIKeyHGHPZGDGYWIDFG-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.90
Rot. Bonds5

About 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine

3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine (PubChem CID 79927569) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
PubChem CID79927569
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
SMILESCN(CCc1cccs1)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H28N2OS/c1-14(2)11-16(12-17,15(3,4)19-14)18(5)9-8-13-7-6-10-20-13/h6-7,10H,8-9,11-12,17H2,1-5H3
InChIKeyHGHPZGDGYWIDFG-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 79476289
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 79476066
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 113483797
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 106662989
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 79488257
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79959004

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine (CID 79927569) is 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine is CN(CCc1cccs1)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine?
The InChIKey is HGHPZGDGYWIDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-14(2)11-16(12-17,15(3,4)19-14)18(5)9-8-13-7-6-10-20-13/h6-7,10H,8-9,11-12,17H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine?
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine has a molecular weight of 296.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine is sourced from PubChem (CID 79927569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).