3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine

C12H21NS — CID 81018951

IUPAC3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
SMILESCC(CCNC(C)C)Cc1cccs1
InChIInChI=1S/C12H21NS/c1-10(2)13-7-6-11(3)9-12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeyGOKSMTSBIJQLFI-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.31
Rot. Bonds6

About 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine

3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine (PubChem CID 81018951) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
PubChem CID81018951
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
SMILESCC(CCNC(C)C)Cc1cccs1
InChIInChI=1S/C12H21NS/c1-10(2)13-7-6-11(3)9-12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeyGOKSMTSBIJQLFI-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine
CID 115000398
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
CID 115723916
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
2-(2-methyl-3-thiophen-2-ylpropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111820061
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine (CID 81018951) is 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine is CC(CCNC(C)C)Cc1cccs1.
What is the InChIKey of 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is GOKSMTSBIJQLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-10(2)13-7-6-11(3)9-12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3.
What are the key properties of 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine?
3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 81018951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).