N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine

C15H28N2S — CID 113410415

IUPACN'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCCCc1cccs1
InChIInChI=1S/C15H28N2S/c1-15(2,3)17-12-7-11-16-10-5-4-8-14-9-6-13-18-14/h6,9,13,16-17H,4-5,7-8,10-12H2,1-3H3
InChIKeyFZWKWXAKHMFTDW-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.44
Rot. Bonds9

About N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine

N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine (PubChem CID 113410415) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
PubChem CID113410415
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCCCc1cccs1
InChIInChI=1S/C15H28N2S/c1-15(2,3)17-12-7-11-16-10-5-4-8-14-9-6-13-18-14/h6,9,13,16-17H,4-5,7-8,10-12H2,1-3H3
InChIKeyFZWKWXAKHMFTDW-UHFFFAOYSA-N
XLogP3.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
2-(5-thiophen-2-ylpentylamino)ethanol
CID 83980456
4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 60998116
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine
CID 65304602
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111766480

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine (CID 113410415) is N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine is CC(C)(C)NCCCNCCCCc1cccs1.
What is the InChIKey of N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine?
The InChIKey is FZWKWXAKHMFTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-15(2,3)17-12-7-11-16-10-5-4-8-14-9-6-13-18-14/h6,9,13,16-17H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine?
N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine is sourced from PubChem (CID 113410415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).