N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C14H26N2OS — CID 55090335

IUPACN'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)OCCCNCCN(C)Cc1ccsc1
InChIInChI=1S/C14H26N2OS/c1-13(2)17-9-4-6-15-7-8-16(3)11-14-5-10-18-12-14/h5,10,12-13,15H,4,6-9,11H2,1-3H3
InChIKeyHNNKPVDTTWXTQV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.58
Rot. Bonds10

About N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 55090335) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID55090335
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)OCCCNCCN(C)Cc1ccsc1
InChIInChI=1S/C14H26N2OS/c1-13(2)17-9-4-6-15-7-8-16(3)11-14-5-10-18-12-14/h5,10,12-13,15H,4,6-9,11H2,1-3H3
InChIKeyHNNKPVDTTWXTQV-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N'-methyl-N-prop-2-ynyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560587
N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 55089694
N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560588
N'-methyl-N'-(2-methylsulfonylethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 79859053
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556925
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560033
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 55090335) is N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is CC(C)OCCCNCCN(C)Cc1ccsc1.
What is the InChIKey of N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is HNNKPVDTTWXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-13(2)17-9-4-6-15-7-8-16(3)11-14-5-10-18-12-14/h5,10,12-13,15H,4,6-9,11H2,1-3H3.
What are the key properties of N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 270.44 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55090335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).