3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine

C13H23NS — CID 43225862

IUPAC3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
SMILESCC(C)CCNC(c1cccs1)C(C)C
InChIInChI=1S/C13H23NS/c1-10(2)7-8-14-13(11(3)4)12-6-5-9-15-12/h5-6,9-11,13-14H,7-8H2,1-4H3
InChIKeySBBCMGBKRIAHHS-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.08
Rot. Bonds6

About 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine

3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine (PubChem CID 43225862) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
PubChem CID43225862
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
SMILESCC(C)CCNC(c1cccs1)C(C)C
InChIInChI=1S/C13H23NS/c1-10(2)7-8-14-13(11(3)4)12-6-5-9-15-12/h5-6,9-11,13-14H,7-8H2,1-4H3
InChIKeySBBCMGBKRIAHHS-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
N-(2-cyclopentyloxyethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 55262215
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine
CID 82710610
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43777650
2-(6-methylheptan-2-yl)thiophene
CID 141463687

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine (CID 43225862) is 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine is CC(C)CCNC(c1cccs1)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine?
The InChIKey is SBBCMGBKRIAHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-10(2)7-8-14-13(11(3)4)12-6-5-9-15-12/h5-6,9-11,13-14H,7-8H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine?
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine is sourced from PubChem (CID 43225862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).