N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

C13H24N2S — CID 63992889

IUPACN'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccsc1C(C)NCCN(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-10(2)15(5)8-7-14-12(4)13-11(3)6-9-16-13/h6,9-10,12,14H,7-8H2,1-5H3
InChIKeyOJULRSMRAVGRBW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.05
Rot. Bonds6

About N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 63992889) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID63992889
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccsc1C(C)NCCN(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-10(2)15(5)8-7-14-12(4)13-11(3)6-9-16-13/h6,9-10,12,14H,7-8H2,1-5H3
InChIKeyOJULRSMRAVGRBW-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
CID 63992430
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 63993076
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 63992889) is N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is Cc1ccsc1C(C)NCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is OJULRSMRAVGRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-10(2)15(5)8-7-14-12(4)13-11(3)6-9-16-13/h6,9-10,12,14H,7-8H2,1-5H3.
What are the key properties of N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63992889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).