2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine

C13H23NS — CID 4722843

IUPAC2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1cccs1
InChIInChI=1S/C13H23NS/c1-12(2,3)10-13(4,5)14-9-11-7-6-8-15-11/h6-8,14H,9-10H2,1-5H3
InChIKeyXMKCPHFVXDZNHO-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.05
Rot. Bonds4

About 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine

2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine (PubChem CID 4722843) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
PubChem CID4722843
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1cccs1
InChIInChI=1S/C13H23NS/c1-12(2,3)10-13(4,5)14-9-11-7-6-8-15-11/h6-8,14H,9-10H2,1-5H3
InChIKeyXMKCPHFVXDZNHO-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
CID 4723305
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
CID 61054800
N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 43788223
N,N,2-trimethyl-2-(thiophen-2-ylmethylamino)propanamide
CID 115618443
2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115630862
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
2-methyl-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 55149935
ethyl 3,3,3-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)propanoate
CID 106523353
2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61054387

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine (CID 4722843) is 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine is CC(C)(C)CC(C)(C)NCc1cccs1.
What is the InChIKey of 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The InChIKey is XMKCPHFVXDZNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-12(2,3)10-13(4,5)14-9-11-7-6-8-15-11/h6-8,14H,9-10H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 4722843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).