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

C15H24N2S — CID 134232630

IUPACN-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1ncc(C2CC2)s1
InChIInChI=1S/C15H24N2S/c1-3-5-12(4-2)8-9-16-11-15-17-10-14(18-15)13-6-7-13/h3,10,12-13,16H,1,4-9,11H2,2H3
InChIKeyHVIXMMICJSTVRH-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.10
Rot. Bonds9

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

N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine (PubChem CID 134232630) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine
PubChem CID134232630
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1ncc(C2CC2)s1
InChIInChI=1S/C15H24N2S/c1-3-5-12(4-2)8-9-16-11-15-17-10-14(18-15)13-6-7-13/h3,10,12-13,16H,1,4-9,11H2,2H3
InChIKeyHVIXMMICJSTVRH-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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1-cyclopropyl-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
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3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
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3-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
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3-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 84779123
5-(2-Fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 84792295
5-(2-Fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 84792297

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine (CID 134232630) is N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine is C=CCC(CC)CCNCc1ncc(C2CC2)s1.
What is the InChIKey of N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine?
The InChIKey is HVIXMMICJSTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-5-12(4-2)8-9-16-11-15-17-10-14(18-15)13-6-7-13/h3,10,12-13,16H,1,4-9,11H2,2H3.
What are the key properties of N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine?
N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine has a molecular weight of 264.44 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-ethylhex-5-en-1-amine is sourced from PubChem (CID 134232630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).