N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C9H17N3S — CID 62923287

IUPACN'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESNCCN(CCN)Cc1ccsc1
InChIInChI=1S/C9H17N3S/c10-2-4-12(5-3-11)7-9-1-6-13-8-9/h1,6,8H,2-5,7,10-11H2
InChIKeyCZHSEPZWXXRHGT-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.47
Rot. Bonds6

About N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62923287) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID62923287
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESNCCN(CCN)Cc1ccsc1
InChIInChI=1S/C9H17N3S/c10-2-4-12(5-3-11)7-9-1-6-13-8-9/h1,6,8H,2-5,7,10-11H2
InChIKeyCZHSEPZWXXRHGT-UHFFFAOYSA-N
XLogP0.47
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
N-(2-chloroethyl)-2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
CID 107487991
thiophen-3-ylmethanamine;dihydrochloride
CID 21114568
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893
2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609
2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
CID 43646268
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 62923287) is N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is NCCN(CCN)Cc1ccsc1.
What is the InChIKey of N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is CZHSEPZWXXRHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c10-2-4-12(5-3-11)7-9-1-6-13-8-9/h1,6,8H,2-5,7,10-11H2.
What are the key properties of N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 199.32 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62923287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).