3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

C11H20N2S — CID 61150339

IUPAC3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCCC(C)C(N)CNCc1cccs1
InChIInChI=1S/C11H20N2S/c1-3-9(2)11(12)8-13-7-10-5-4-6-14-10/h4-6,9,11,13H,3,7-8,12H2,1-2H3
InChIKeyANHZRYAVZAGWSG-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.21
Rot. Bonds6

About 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (PubChem CID 61150339) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
PubChem CID61150339
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCCC(C)C(N)CNCc1cccs1
InChIInChI=1S/C11H20N2S/c1-3-9(2)11(12)8-13-7-10-5-4-6-14-10/h4-6,9,11,13H,3,7-8,12H2,1-2H3
InChIKeyANHZRYAVZAGWSG-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.21
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
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
CID 106012217
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
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-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (CID 61150339) is 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is CCC(C)C(N)CNCc1cccs1.
What is the InChIKey of 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is ANHZRYAVZAGWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-9(2)11(12)8-13-7-10-5-4-6-14-10/h4-6,9,11,13H,3,7-8,12H2,1-2H3.
What are the key properties of 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 61150339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).