N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C14H26N2OS — CID 62555499

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCc1cccs1)C(C)COC
InChIInChI=1S/C14H26N2OS/c1-4-16(13(2)12-17-3)10-9-15-8-7-14-6-5-11-18-14/h5-6,11,13,15H,4,7-10,12H2,1-3H3
InChIKeyHGIPPNBDYXLOQV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.24
Rot. Bonds10

About N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62555499) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62555499
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCc1cccs1)C(C)COC
InChIInChI=1S/C14H26N2OS/c1-4-16(13(2)12-17-3)10-9-15-8-7-14-6-5-11-18-14/h5-6,11,13,15H,4,7-10,12H2,1-3H3
InChIKeyHGIPPNBDYXLOQV-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55226541
N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 82943589
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552
N'-ethyl-N-(1-methoxypropan-2-yl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558030
2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226198
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
N-(2-ethoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556643
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62555499) is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CCN(CCNCCc1cccs1)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is HGIPPNBDYXLOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-16(13(2)12-17-3)10-9-15-8-7-14-6-5-11-18-14/h5-6,11,13,15H,4,7-10,12H2,1-3H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 270.44 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).