N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine

C13H21NS — CID 104583720

IUPACN-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCCCc1cccs1
InChIInChI=1S/C13H21NS/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-15-13/h3,6,9,11-12,14H,1,4-5,7-8,10H2,2H3
InChIKeyOVVVVFDLTQPGDE-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.62
Rot. Bonds8

About N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine

N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine (PubChem CID 104583720) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
PubChem CID104583720
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCCCc1cccs1
InChIInChI=1S/C13H21NS/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-15-13/h3,6,9,11-12,14H,1,4-5,7-8,10H2,2H3
InChIKeyOVVVVFDLTQPGDE-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine
CID 104582125
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-(thiophen-2-ylmethyl)oct-7-en-4-amine
CID 115706740

Frequently Asked Questions

What is the IUPAC name of N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine?
The IUPAC name of N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine (CID 104583720) is N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine.
What is the SMILES notation for N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine?
The canonical SMILES for N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine is C=CCCC(C)NCCCc1cccs1.
What is the InChIKey of N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine?
The InChIKey is OVVVVFDLTQPGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-15-13/h3,6,9,11-12,14H,1,4-5,7-8,10H2,2H3.
What are the key properties of N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine?
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.62, 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)hex-5-en-2-amine is sourced from PubChem (CID 104583720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).