N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C19H36N2S — CID 159085641

IUPACN'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCCCCCCCN(CCN(C)C)Cc1cccs1
InChIInChI=1S/C19H36N2S/c1-4-5-6-7-8-9-10-11-14-21(16-15-20(2)3)18-19-13-12-17-22-19/h12-13,17H,4-11,14-16,18H2,1-3H3
InChIKeyRTGIUNNLAMDBSG-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.25
Rot. Bonds14

About N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 159085641) has the molecular formula C19H36N2S and a molecular weight of 324.58 g/mol. Its IUPAC name is N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID159085641
Molecular FormulaC19H36N2S
Molecular Weight324.58 g/mol
Exact Mass324.26
IUPAC NameN'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCCCCCCCN(CCN(C)C)Cc1cccs1
InChIInChI=1S/C19H36N2S/c1-4-5-6-7-8-9-10-11-14-21(16-15-20(2)3)18-19-13-12-17-22-19/h12-13,17H,4-11,14-16,18H2,1-3H3
InChIKeyRTGIUNNLAMDBSG-UHFFFAOYSA-N
XLogP5.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
ethane;2-pentylthiophene
CID 143883800
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
methane;2-undecylthiophene
CID 175504380
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 16673175

Frequently Asked Questions

What is the IUPAC name of N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 159085641) is N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCCCCCCCCCN(CCN(C)C)Cc1cccs1.
What is the InChIKey of N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is RTGIUNNLAMDBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2S/c1-4-5-6-7-8-9-10-11-14-21(16-15-20(2)3)18-19-13-12-17-22-19/h12-13,17H,4-11,14-16,18H2,1-3H3.
What are the key properties of N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 324.58 g/mol, XLogP of 5.25, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 159085641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).