N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine

C15H28N2S — CID 79488348

IUPACN'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
SMILESCC(C)CC(CN)CCN(C)CCc1cccs1
InChIInChI=1S/C15H28N2S/c1-13(2)11-14(12-16)6-8-17(3)9-7-15-5-4-10-18-15/h4-5,10,13-14H,6-9,11-12,16H2,1-3H3
InChIKeyKOWWHHVDGWJKNH-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.23
Rot. Bonds9

About N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine

N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine (PubChem CID 79488348) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
PubChem CID79488348
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
SMILESCC(C)CC(CN)CCN(C)CCc1cccs1
InChIInChI=1S/C15H28N2S/c1-13(2)11-14(12-16)6-8-17(3)9-7-15-5-4-10-18-15/h4-5,10,13-14H,6-9,11-12,16H2,1-3H3
InChIKeyKOWWHHVDGWJKNH-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide
CID 79493813
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974
4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
CID 104501740
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
CID 79494543
N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
CID 79476445
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine (CID 79488348) is N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine is CC(C)CC(CN)CCN(C)CCc1cccs1.
What is the InChIKey of N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine?
The InChIKey is KOWWHHVDGWJKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-13(2)11-14(12-16)6-8-17(3)9-7-15-5-4-10-18-15/h4-5,10,13-14H,6-9,11-12,16H2,1-3H3.
What are the key properties of N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine?
N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 79488348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).