N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

C11H19ClN2S — CID 172563107

IUPACN'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)C(C)c1cc(Cl)cs1
InChIInChI=1S/C11H19ClN2S/c1-8(2)14(5-4-13)9(3)11-6-10(12)7-15-11/h6-9H,4-5,13H2,1-3H3
InChIKeyPCZHAMGJPBAWBC-UHFFFAOYSA-N
MW246.81 g/mol
LogP3.13
Rot. Bonds5

About N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 172563107) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID172563107
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC NameN'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)C(C)c1cc(Cl)cs1
InChIInChI=1S/C11H19ClN2S/c1-8(2)14(5-4-13)9(3)11-6-10(12)7-15-11/h6-9H,4-5,13H2,1-3H3
InChIKeyPCZHAMGJPBAWBC-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
2-(Azepan-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 16461932
((5-Chlorothiophen-2-yl)methyl)(ethyl)amine
CID 2450168
1-[(5-Chlorothiophen-2-yl)methyl]piperazine
CID 2455012
[(5-Chlorothiophen-2-yl)methyl](methyl)amine
CID 2564750
N,N-Dimethyl-N'-(thien-2-ylmethyl)ethane-1,2-diamine
CID 3154216
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
2-(5-Chloro-2-thienyl)pyrrolidine
CID 4305829
(2-Amino-2-(thiophen-2-yl)ethyl)dimethylamine
CID 16228092
1-(5-Chlorothiophen-2-yl)propan-1-amine
CID 17249036
(1R)-1-(5-chlorothiophen-2-yl)ethan-1-amine hydrochloride
CID 68753513

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 172563107) is N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)C(C)c1cc(Cl)cs1.
What is the InChIKey of N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is PCZHAMGJPBAWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-8(2)14(5-4-13)9(3)11-6-10(12)7-15-11/h6-9H,4-5,13H2,1-3H3.
What are the key properties of N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 246.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorothiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 172563107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).