N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine

C14H26N2S — CID 79488346

IUPACN'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
SMILESCN(CCCCCCCN)CCc1cccs1
InChIInChI=1S/C14H26N2S/c1-16(11-6-4-2-3-5-10-15)12-9-14-8-7-13-17-14/h7-8,13H,2-6,9-12,15H2,1H3
InChIKeyMFSNJQFHYHYYFB-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.13
Rot. Bonds10

About N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine

N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine (PubChem CID 79488346) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
PubChem CID79488346
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
SMILESCN(CCCCCCCN)CCc1cccs1
InChIInChI=1S/C14H26N2S/c1-16(11-6-4-2-3-5-10-15)12-9-14-8-7-13-17-14/h7-8,13H,2-6,9-12,15H2,1H3
InChIKeyMFSNJQFHYHYYFB-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-thiophen-2-yldecan-1-amine
CID 22115195
N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
CID 79494543
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
CID 79476445
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N'-methyl-N'-[2-(3-methylthiophen-2-yl)ethyl]butane-1,4-diamine
CID 115201578
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine?
The IUPAC name of N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine (CID 79488346) is N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine.
What is the SMILES notation for N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine?
The canonical SMILES for N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine is CN(CCCCCCCN)CCc1cccs1.
What is the InChIKey of N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine?
The InChIKey is MFSNJQFHYHYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-16(11-6-4-2-3-5-10-15)12-9-14-8-7-13-17-14/h7-8,13H,2-6,9-12,15H2,1H3.
What are the key properties of N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine?
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine is sourced from PubChem (CID 79488346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).