N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine

C13H24N2S — CID 116913540

IUPACN,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1ccsc1C(C(CN)C(C)C)N(C)C
InChIInChI=1S/C13H24N2S/c1-9(2)11(8-14)12(15(4)5)13-10(3)6-7-16-13/h6-7,9,11-12H,8,14H2,1-5H3
InChIKeySOKUCTIHPKMLNZ-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.89
Rot. Bonds5

About N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine

N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116913540) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116913540
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1ccsc1C(C(CN)C(C)C)N(C)C
InChIInChI=1S/C13H24N2S/c1-9(2)11(8-14)12(15(4)5)13-10(3)6-7-16-13/h6-7,9,11-12H,8,14H2,1-5H3
InChIKeySOKUCTIHPKMLNZ-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
CID 116911789
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913495
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
N'-methyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945946
N-[2-(dimethylamino)ethyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 63693012
2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
CID 63992430
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648
N-(3,5-dimethylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62003890
1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384371
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine (CID 116913540) is N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine is Cc1ccsc1C(C(CN)C(C)C)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is SOKUCTIHPKMLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(2)11(8-14)12(15(4)5)13-10(3)6-7-16-13/h6-7,9,11-12H,8,14H2,1-5H3.
What are the key properties of N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine?
N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116913540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).