4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol

C13H23NOS — CID 62624282

IUPAC4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)Cc1ccsc1
InChIInChI=1S/C13H23NOS/c1-13(2,3)12(15)5-7-14(4)9-11-6-8-16-10-11/h6,8,10,12,15H,5,7,9H2,1-4H3
InChIKeySHJBCSIIUVBJRO-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.98
Rot. Bonds5

About 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol

4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol (PubChem CID 62624282) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
PubChem CID62624282
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)Cc1ccsc1
InChIInChI=1S/C13H23NOS/c1-13(2,3)12(15)5-7-14(4)9-11-6-8-16-10-11/h6,8,10,12,15H,5,7,9H2,1-4H3
InChIKeySHJBCSIIUVBJRO-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 64996092
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol (CID 62624282) is 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol is CN(CCC(O)C(C)(C)C)Cc1ccsc1.
What is the InChIKey of 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol?
The InChIKey is SHJBCSIIUVBJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-13(2,3)12(15)5-7-14(4)9-11-6-8-16-10-11/h6,8,10,12,15H,5,7,9H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol?
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol has a molecular weight of 241.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol is sourced from PubChem (CID 62624282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).