1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine

C11H20N2S — CID 115199472

IUPAC1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
SMILESCc1ccsc1CN(C)CCC(C)N
InChIInChI=1S/C11H20N2S/c1-9-5-7-14-11(9)8-13(3)6-4-10(2)12/h5,7,10H,4,6,8,12H2,1-3H3
InChIKeyHVVHFFMFLDUOIO-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.23
Rot. Bonds5

About 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine

1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine (PubChem CID 115199472) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
PubChem CID115199472
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
SMILESCc1ccsc1CN(C)CCC(C)N
InChIInChI=1S/C11H20N2S/c1-9-5-7-14-11(9)8-13(3)6-4-10(2)12/h5,7,10H,4,6,8,12H2,1-3H3
InChIKeyHVVHFFMFLDUOIO-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide
CID 135108529
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252887
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine (CID 115199472) is 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine is Cc1ccsc1CN(C)CCC(C)N.
What is the InChIKey of 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine?
The InChIKey is HVVHFFMFLDUOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9-5-7-14-11(9)8-13(3)6-4-10(2)12/h5,7,10H,4,6,8,12H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine?
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 115199472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).