N-(3-thiophen-2-ylpropyl)hexan-2-amine

C13H23NS — CID 115897415

IUPACN-(3-thiophen-2-ylpropyl)hexan-2-amine
SMILESCCCCC(C)NCCCc1cccs1
InChIInChI=1S/C13H23NS/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-15-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3
InChIKeyVFLJNXUFXWSPHX-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.85
Rot. Bonds8

About N-(3-thiophen-2-ylpropyl)hexan-2-amine

N-(3-thiophen-2-ylpropyl)hexan-2-amine (PubChem CID 115897415) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-(3-thiophen-2-ylpropyl)hexan-2-amine.

Molecular Properties

Compound NameN-(3-thiophen-2-ylpropyl)hexan-2-amine
PubChem CID115897415
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-(3-thiophen-2-ylpropyl)hexan-2-amine
SMILESCCCCC(C)NCCCc1cccs1
InChIInChI=1S/C13H23NS/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-15-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3
InChIKeyVFLJNXUFXWSPHX-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113408512
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687

Frequently Asked Questions

What is the IUPAC name of N-(3-thiophen-2-ylpropyl)hexan-2-amine?
The IUPAC name of N-(3-thiophen-2-ylpropyl)hexan-2-amine (CID 115897415) is N-(3-thiophen-2-ylpropyl)hexan-2-amine.
What is the SMILES notation for N-(3-thiophen-2-ylpropyl)hexan-2-amine?
The canonical SMILES for N-(3-thiophen-2-ylpropyl)hexan-2-amine is CCCCC(C)NCCCc1cccs1.
What is the InChIKey of N-(3-thiophen-2-ylpropyl)hexan-2-amine?
The InChIKey is VFLJNXUFXWSPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-15-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3.
What are the key properties of N-(3-thiophen-2-ylpropyl)hexan-2-amine?
N-(3-thiophen-2-ylpropyl)hexan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-thiophen-2-ylpropyl)hexan-2-amine is sourced from PubChem (CID 115897415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).