3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol

C11H19NOS — CID 115252017

IUPAC3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
SMILESCC(C)C(CO)CNCc1cccs1
InChIInChI=1S/C11H19NOS/c1-9(2)10(8-13)6-12-7-11-4-3-5-14-11/h3-5,9-10,12-13H,6-8H2,1-2H3
InChIKeyYWINTICKJNUGFG-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.10
Rot. Bonds6

About 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol

3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol (PubChem CID 115252017) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
PubChem CID115252017
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
SMILESCC(C)C(CO)CNCc1cccs1
InChIInChI=1S/C11H19NOS/c1-9(2)10(8-13)6-12-7-11-4-3-5-14-11/h3-5,9-10,12-13H,6-8H2,1-2H3
InChIKeyYWINTICKJNUGFG-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol (CID 115252017) is 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol is CC(C)C(CO)CNCc1cccs1.
What is the InChIKey of 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol?
The InChIKey is YWINTICKJNUGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-9(2)10(8-13)6-12-7-11-4-3-5-14-11/h3-5,9-10,12-13H,6-8H2,1-2H3.
What are the key properties of 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol?
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol is sourced from PubChem (CID 115252017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).