N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine

C13H21NS — CID 104581872

IUPACN-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)Cc1ccsc1
InChIInChI=1S/C13H21NS/c1-4-5-6-11(2)14-12(3)9-13-7-8-15-10-13/h4,7-8,10-12,14H,1,5-6,9H2,2-3H3
InChIKeyKMNPFCFADYBFLD-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.62
Rot. Bonds7

About N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine

N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine (PubChem CID 104581872) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
PubChem CID104581872
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)Cc1ccsc1
InChIInChI=1S/C13H21NS/c1-4-5-6-11(2)14-12(3)9-13-7-8-15-10-13/h4,7-8,10-12,14H,1,5-6,9H2,2-3H3
InChIKeyKMNPFCFADYBFLD-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
CID 61473299
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
CID 107898855
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473217
1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine
CID 115769840
N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
CID 115906838

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine (CID 104581872) is N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine is C=CCCC(C)NC(C)Cc1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine?
The InChIKey is KMNPFCFADYBFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-5-6-11(2)14-12(3)9-13-7-8-15-10-13/h4,7-8,10-12,14H,1,5-6,9H2,2-3H3.
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine?
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine is sourced from PubChem (CID 104581872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).