N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine

C10H18N2S — CID 115198451

IUPACN',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine
SMILESCc1ccsc1N(C)CC(C)CN
InChIInChI=1S/C10H18N2S/c1-8(6-11)7-12(3)10-9(2)4-5-13-10/h4-5,8H,6-7,11H2,1-3H3
InChIKeyJJGNVBYFSJWKFH-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.09
Rot. Bonds4

About N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine

N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine (PubChem CID 115198451) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine
PubChem CID115198451
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine
SMILESCc1ccsc1N(C)CC(C)CN
InChIInChI=1S/C10H18N2S/c1-8(6-11)7-12(3)10-9(2)4-5-13-10/h4-5,8H,6-7,11H2,1-3H3
InChIKeyJJGNVBYFSJWKFH-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine
CID 115202509
4-[methyl-(3-methylthiophen-2-yl)amino]butanenitrile
CID 115231648
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
CID 115154152
N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62001860
1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242191
N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
CID 62960170
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116913540
2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine
CID 115124427
3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
CID 115192593
N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 112514390

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine (CID 115198451) is N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine is Cc1ccsc1N(C)CC(C)CN.
What is the InChIKey of N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine?
The InChIKey is JJGNVBYFSJWKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(6-11)7-12(3)10-9(2)4-5-13-10/h4-5,8H,6-7,11H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine?
N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine has a molecular weight of 198.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115198451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).