N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine

C13H22N2S — CID 104578195

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(CC)c1ncc(C)s1
InChIInChI=1S/C13H22N2S/c1-5-7-8-10(3)15-12(6-2)13-14-9-11(4)16-13/h5,9-10,12,15H,1,6-8H2,2-4H3
InChIKeyVBOQSSDTZMWQCD-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.85
Rot. Bonds7

About N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine

N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine (PubChem CID 104578195) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine
PubChem CID104578195
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(CC)c1ncc(C)s1
InChIInChI=1S/C13H22N2S/c1-5-7-8-10(3)15-12(6-2)13-14-9-11(4)16-13/h5,9-10,12,15H,1,6-8H2,2-4H3
InChIKeyVBOQSSDTZMWQCD-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115688389
N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115722264
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828
2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 104583335
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096557
N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine
CID 104582576
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine
CID 104628537
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115726994
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 115679915

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine (CID 104578195) is N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine is C=CCCC(C)NC(CC)c1ncc(C)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine?
The InChIKey is VBOQSSDTZMWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-5-7-8-10(3)15-12(6-2)13-14-9-11(4)16-13/h5,9-10,12,15H,1,6-8H2,2-4H3.
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine?
N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine is sourced from PubChem (CID 104578195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).