N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine

C20H23NS — CID 68813363

IUPACN-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine
SMILESCC(NCCCCc1cccs1)c1ccc2cccccc1-2
InChIInChI=1S/C20H23NS/c1-16(21-14-6-5-9-18-10-7-15-22-18)19-13-12-17-8-3-2-4-11-20(17)19/h2-4,7-8,10-13,15-16,21H,5-6,9,14H2,1H3
InChIKeyJROGZXGMHGEKAA-UHFFFAOYSA-N
MW309.48 g/mol
LogP5.53
Rot. Bonds7

About N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine

N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 68813363) has the molecular formula C20H23NS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID68813363
Molecular FormulaC20H23NS
Molecular Weight309.48 g/mol
Exact Mass309.16
IUPAC NameN-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine
SMILESCC(NCCCCc1cccs1)c1ccc2cccccc1-2
InChIInChI=1S/C20H23NS/c1-16(21-14-6-5-9-18-10-7-15-22-18)19-13-12-17-8-3-2-4-11-20(17)19/h2-4,7-8,10-13,15-16,21H,5-6,9,14H2,1H3
InChIKeyJROGZXGMHGEKAA-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-azulen-1-ylethyl)-3-(5-thiophen-2-yl-1,2-oxazol-4-yl)propan-1-amine
CID 68817706
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine
CID 68814745
4-[3-(1-azulen-1-ylethylamino)propyl]aniline
CID 68814043
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113408512
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434
1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 115970342

Frequently Asked Questions

What is the IUPAC name of N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine (CID 68813363) is N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine is CC(NCCCCc1cccs1)c1ccc2cccccc1-2.
What is the InChIKey of N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is JROGZXGMHGEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NS/c1-16(21-14-6-5-9-18-10-7-15-22-18)19-13-12-17-8-3-2-4-11-20(17)19/h2-4,7-8,10-13,15-16,21H,5-6,9,14H2,1H3.
What are the key properties of N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine?
N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 68813363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).